1,2-Dichloroethane

Athanor · official

C₂H₄Cl₂ · 98.96 g/mol

Also called DCE, ethylene dichloride

Solvents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHighly Flammable liquid and vapor · Harmful if swallowed · Causes skin irritation · Causes serious eye irritation · May cause respiratory irritation · May cause cancer

Names and identifiers

IUPAC name: 1,2-dichloroethane
Synonyms: DCE, ethylene dichloride, Ethylene dichloride
+ 37 more
Ethylene chloride, Glycol dichloride, Dutch liquid, Ethane, 1,2-dichloro-, Ethane dichloride, sym-Dichloroethane, Aethylenchlorid, Brocide, Dichlor-Mulsion, 1,2-Dichlorethane, Dichloro-1,2-ethane, Dichloremulsion, alpha,beta-Dichloroethane, 1,2-Bichloroethane, Borer sol, Bichlorure D'ethylene, Di-chlor-mulsion, Freon 150, Destruxol borer-sol, 1,2-DCE, 1,2-Ethylene dichloride, Ethyleendichloride, Cloruro di ethene, 1,2-Dicloroetano, Chlorure D'ethylene, Rcra waste number U077, 1,2-Dichloorethaan, 1,2-Dichlor-aethan, DTXSID6020438, HCC 150, NCI-C00511, Dichlorure d'ethylene, ENT 1,656, EPA Pesticide Chemical Code 042003, 55163IJI47, DTXCID40438, CHEBI:27789
Molecular formula: C₂H₄Cl₂
Empirical formula: CH₂Cl
Molecular weight: 98.96 g/mol
Exact mass: 97.96901
CAS number: 107-06-2
PubChem CID: 11
Canonical SMILES: C(CCl)Cl
Isomeric SMILES: C(CCl)Cl
InChI: InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Colorless, oily liquid[6]
9 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Ethylene dichloride appears as a clear colorless liquid with a chloroform-like odor. Flash point 56 °F. Denser than water and insoluble in water. Vapors are heavier than air. Density 10.4 lb / gal. [1] CAMEO Chemicals
– Liquid; Gas Vapor [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS VISCOUS LIQUID WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR, MOISTURE AND LIGHT. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a pleasant, chloroform-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a pleasant, chloroform-like odor. [Note: Decomposes slowly, becomes acidic & darkens in color.] [5] The National Institute for Occupational Safety and Health (NIOSH)
– Clear, colorless, oily liquid [6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
– Clear liquid at ambient temperatures [6] Hazardous Substances Data Bank (HSDB)cites Dreher EB et al; Chloroethanes and Chloroethylenes. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: 19 Nov 2014.
– Colorless liquid [Note: Decomposes slowly, becomes acidic & darkens in color] [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
–shown Colorless, oily liquid [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 583
Odor: Sweet[6]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Pleasant, chloroform-like [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
– Chloroform-like odor [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 583
–shown Sweet [6] Hazardous Substances Data Bank (HSDB)cites Ruth JH; Am Ind Hyg Assoc J 47: A-142-51 (1986)
Melting point: -35.7 °C[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−35.3 °C -31.5 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−35.7 °Cshown -35.7 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−36 °C -32 °F [4] Occupational Safety and Health Administration (OSHA)
−35.7 °C -35.7 °C [7] PAC Chemical Database, U.S. Department of Energy
−36 °C -32 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 83.5 °C (182.3 °F) at 760 mmHg (NTP, 1992)[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
83.5 °Cshown 182.3 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
83.5 °C 83.5 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
83 °C 182 °F [4] Occupational Safety and Health Administration (OSHA)
83.5 °C 83.5 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
83 °C 182 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.2454 @25 °C[7]
5 values
4 of 5 sources agree on it (most common value).
Value As written Source
– 1.253 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Relative density (water = 1): 1.2 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.24 [4] Occupational Safety and Health Administration (OSHA)
–shown 1.2454 @25 °C [7] PAC Chemical Database, U.S. Department of Energy
– 1.24 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml: 0.87[3]
7 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 5 to 10 mg/mL at 66 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– In water, 8,600 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Horvath A et al; J Phys Chem Ref Data 128: 395-623 (1999)
– Solubility in water at 20 °C: 0.86% wt [6] Hazardous Substances Data Bank (HSDB)cites Dreher EB et al; Chloroethanes and Chloroethylenes. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: 19 Nov 2014.
– 0.869 g/100 mL water at 20 °C [6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
– For more Solubility (Complete) data for 1,2-Dichloroethane (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water, g/100ml: 0.87 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.9% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 1.48[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 1.48 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 4
–shown 1.48 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 78.9 mmHg at 25 °C[6]
5 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
60 mmHg 60 mmHg at 68 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
100 mmHg 100 mmHg at 84.9 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
78.9 mmHgshown 78.9 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
65 mmHg Vapor pressure, kPa at 20 °C: 8.7 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
75 mmHg 75 [mm Hg] @23.7 °C [7] PAC Chemical Database, U.S. Department of Energy
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: 13.0 °C (55.4 °F) - closed cup - Tested according to Annex V of Directive 67/548/EEC.[6]
6 values
5 of 5 sources agree on it (most common value).
Value As written Source
13 °C 56 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
13.0 °Cshown 13.0 °C (55.4 °F) - closed cup - Tested according to Annex V of Directive 67/548/EEC. [6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for 1,2-Dichloroethane, anhydrous, 99.8%. Product Number: 284505, Version 4.13 (Revision Date 12/11/2017). Available from, as of March 5, 2018: https://www.sigmaaldrich.com/safety-center.html
13 °C 56 °F (13 °C) - closed cup [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-61
13 °C 13 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
13 °C 56 °F [4] Occupational Safety and Health Administration (OSHA)
13 °C 56 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 413 °C (775 °F)[6]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
413 °C 775 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
413 °Cshown 775 °F (413 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-61
440 °C 440 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 0.84 cP at 20 °C[6]

Value	As written	Source
–	Ethylene dichloride appears as a clear colorless liquid with a chloroform-like odor. Flash point 56 °F. Denser than water and insoluble in water. Vapors are heavier than air. Density 10.4 lb / gal.	[1] CAMEO Chemicals
–	Liquid; Gas Vapor	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS VISCOUS LIQUID WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR, MOISTURE AND LIGHT.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a pleasant, chloroform-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a pleasant, chloroform-like odor. [Note: Decomposes slowly, becomes acidic & darkens in color.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–	Clear, colorless, oily liquid	[6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
–	Clear liquid at ambient temperatures	[6] Hazardous Substances Data Bank (HSDB)cites Dreher EB et al; Chloroethanes and Chloroethylenes. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: 19 Nov 2014.
–	Colorless liquid [Note: Decomposes slowly, becomes acidic & darkens in color]	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
–shown	Colorless, oily liquid	[6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 583

Value	As written	Source
–	Pleasant, chloroform-like	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
–	Chloroform-like odor	[6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 583
–shown	Sweet	[6] Hazardous Substances Data Bank (HSDB)cites Ruth JH; Am Ind Hyg Assoc J 47: A-142-51 (1986)

Value	As written	Source
−35.3 °C	-31.5 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−35.7 °Cshown	-35.7 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−36 °C	-32 °F	[4] Occupational Safety and Health Administration (OSHA)
−35.7 °C	-35.7 °C	[7] PAC Chemical Database, U.S. Department of Energy
−36 °C	-32 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
83.5 °Cshown	182.3 °F at 760 mmHg (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
83.5 °C	83.5 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
83 °C	182 °F	[4] Occupational Safety and Health Administration (OSHA)
83.5 °C	83.5 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
83 °C	182 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.253 at 68 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Relative density (water = 1): 1.2	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.24	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.2454 @25 °C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.24	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	5 to 10 mg/mL at 66 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	In water, 8,600 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Horvath A et al; J Phys Chem Ref Data 128: 395-623 (1999)
–	Solubility in water at 20 °C: 0.86% wt	[6] Hazardous Substances Data Bank (HSDB)cites Dreher EB et al; Chloroethanes and Chloroethylenes. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2018). New York, NY: John Wiley & Sons. Online Posting Date: 19 Nov 2014.
–	0.869 g/100 mL water at 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
–	For more Solubility (Complete) data for 1,2-Dichloroethane (6 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water, g/100ml: 0.87	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.9%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 1.48	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 4
–shown	1.48	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
60 mmHg	60 mmHg at 68 °F	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
100 mmHg	100 mmHg at 84.9 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
78.9 mmHgshown	78.9 mm Hg at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
65 mmHg	Vapor pressure, kPa at 20 °C: 8.7	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
75 mmHg	75 [mm Hg] @23.7 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
13 °C	56 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
13.0 °Cshown	13.0 °C (55.4 °F) - closed cup - Tested according to Annex V of Directive 67/548/EEC.	[6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for 1,2-Dichloroethane, anhydrous, 99.8%. Product Number: 284505, Version 4.13 (Revision Date 12/11/2017). Available from, as of March 5, 2018: https://www.sigmaaldrich.com/safety-center.html
13 °C	56 °F (13 °C) - closed cup	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-61
13 °C	13 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
13 °C	56 °F	[4] Occupational Safety and Health Administration (OSHA)
13 °C	56 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
413 °C	775 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
413 °Cshown	775 °F (413 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-61
440 °C	440 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 4
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 1
TPSA (Å²): 0
Formal charge: 0
XLogP3: 1.5 PubChem
Complexity: 6 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C24.27%
H4.07%
Cl71.65%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 1.46 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.31 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.81 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 98.96
log P ≤ 5 (Crippen): 1.46
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Flammable
Harmful or irritant
Health hazard

NFPA 704[6]

H225Highly Flammable liquid and vapor
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
H350May cause cancer

Precautionary statements: P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H302, H315, H319, H335, H350
[9] European Chemicals Agency (ECHA) · 666 reports · DangerH225, H302, H304, H315, H319, H331, H335, H350
[6] Hazardous Substances Data Bank (HSDB) · DangerH225, H302, H315, H319, H331, H335, H350

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 50 ppm (200 mg/m³)[4]
PEL-C (Ceiling): 100 ppm [5 min any 3 hrs]; 200 ppm (Peak)[4]
PEL: TWA 50 ppm C 100 ppm 200 ppm [5-minute maximum peak in any 3 hours] See Appendix G[5]
REL-TWA (Time Weighted Average): 1 ppm (4 mg/m³)[4]
REL-STEL (Short Term Exposure Limit): 2 ppm (8 mg/m³)[4]
REL: Ca TWA 1 ppm (4 mg/m3) ST 2 ppm (8 mg/m3) See Appendix ASee Appendix C (Chloroethanes)[5]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[10]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Soap wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water.[5]
Fresh air, rest. Half-upright position. Administration of oxygen may be needed. Artificial respiration may be needed. Refer immediately for medical attention.[3]

Storage

Fireproof. Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Cool. Dry. Well closed. Store in an area without drain or sewer access.[3]
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Storage class (TRGS 510): 3: Flammable liquids.[6]
Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. Prior to working with this chemical you should be trained on its proper handling and storage. Before entering confined space where this chemical may be present, check to make sure that an explosive concentration does not exist.[6]
Precautions FOR "carcinogens": Storage site should be as close as practicable to lab in which carcinogens are to be used, so that only small quantities required for ... Expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... Should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... Should be contiguous to storage area. (chemical Carcinogens)[6]

Incompatibilities

Incompatible materials: Strong oxidizing agents.[6]
Violent reaction with aluminum, dinitrogen tetroxide, ammonia, dimethylaminopropylamine. Can react vigorously with oxidizing materials and emit vinyl chloride and hydrochloric acid.[6]
Orthodichlorobenzene had been mixed with ethylene dichloride and propylene dichloride. This mixture dissolved the oxide coating from the aluminum containing vessel. Subsequent reaction between the aluminum vessel and the chlorinated olefins caused rupture of the vessel.[6]
Liquid ammonia and ethylene dichloride can cause an explosion when mixed.[6]

Safety data sheets on the supplier’s page: Sigma-Aldrich, Thermo Fisher Scientific, Cooke Chemical Co., Ltd.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[14]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[15]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[16]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.