Dichloromethane

Athanor · official

CH₂Cl₂ · 84.93 g/mol

Also called DCM, methylene chloride, methylene dichloride

Solvents

Open in Athanor

Drawn from its SMILES with RDKit

WarningSuspected of causing cancer

Names and identifiers

IUPAC name: dichloromethane
Synonyms: DCM, methylene chloride, methylene dichloride
+ 38 more
Methylene chloride, Methylene dichloride, Methane, dichloro-, Methylene bichloride, Methane dichloride, Solaesthin, Solmethine, Narkotil, Aerothene MM, Freon 30, Metylenu chlorek, Chlorure de methylene, Metaclen, CH2Cl2, Soleana VDA, Khladon 30, F 30 (chlorocarbon), Methylenum chloratum, DTXSID0020868, R30 (refrigerant), RCRA waste number U080, Caswell No. 568, NCI-C50102, HCC 30, Chloride, Methylene, Bichloride, Methylene, Dichloride, Methylene, CCRIS 392, UN 1593, EPA Pesticide Chemical Code 042004, NSC-406122, BRN 1730800, 588X2YUY0A, AI3-01773, DTXCID40868, CHEBI:15767, NSC406122, RefChem:6698
Molecular formula: CH₂Cl₂
Empirical formula: CH₂Cl₂
Molecular weight: 84.93 g/mol
Exact mass: 83.95336
CAS number: 75-09-2
PubChem CID: 6344
Canonical SMILES: C(Cl)Cl
Isomeric SMILES: C(Cl)Cl
InChI: InChI=1S/CH2Cl2/c2-1-3/h1H2
InChIKey: YMWUJEATGCHHMB-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless, volatile liquid[6]
7 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Dichloromethane appears as a colorless liquid with a sweet, penetrating, ether-like odor. Noncombustible by if exposed to high temperatures may emit toxic chloride fumes. Vapors are narcotic in high concentrations. Used as a solvent and paint remover. [1] CAMEO Chemicals
– CBI; Liquid [2] EPA Chemical Data Reporting (CDR)
– VERY VOLATILE COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a chloroform-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a chloroform-like odor. [Note: A gas above 104 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
– Colorless liquid [Note: A gas above 104 degrees F] [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, volatile liquid [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 827
Odor: Chloroform like odor[6]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Sweet, pleasant odor, like chloroform [6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
–shown Chloroform like odor [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
– Penetrating ether-like odor [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 827
– Slightly sweet smell, similar to that of trichloromethane [6] Hazardous Substances Data Bank (HSDB)cites Rossberg M et al; Chloromethanes. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Oct 15, 2011.
Melting point: -96.7 °C (-142.1 °F, NTP 1992)[1]
5 values
3 of 5 sources agree on it (most common value).
Value As written Source
−96.7 °Cshown -142.1 °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.
−97 °C -97 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−95 °C -139 °F [4] Occupational Safety and Health Administration (OSHA)
−97.2 °C -97.2 °C [7] PAC Chemical Database, U.S. Department of Energy
−95 °C -139 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 39.8 °C (103.6 °F) at 760 mmHg (NTP, 1992)[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
39.8 °Cshown 103.6 °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.
40 °C 40 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
40 °C 104 °F [4] Occupational Safety and Health Administration (OSHA)
40 °C 40 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
40 °C 104 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.3266 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 1.322 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): 1.3 (20 °C) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.33 [4] Occupational Safety and Health Administration (OSHA)
–shown 1.3266 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.33 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 20 °C: 1.3 (moderate)[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 10 to 50 mg/mL at 70 °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, 13,200 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 4
– In water, 13,000 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Horvath AL; Halogenated Hydrocarbons: Solubility-Miscibility With Water NY: Marcel Dekker (1982)
–shown Solubility in water, g/100ml at 20 °C: 1.3 (moderate) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 2% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 1.25[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 1.25 [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. 3
–shown 1.25 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 435 mmHg at 25 °C[6]
4 values
2 of 4 sources agree on it (most common value).
Value As written Source
440 mmHg 440 mmHg at 77 °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.
435 mmHgshown 435 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
360 mmHg Vapor pressure, kPa at 20 °C: 47.4 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
750 mmHg 750 [mm Hg] @39.299999999999997 °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.
Autoignition temperature: 556 °C (1033 °F)[6]
3 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
640 °C 1184 °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.
556 °Cshown 1033 °F (556 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-84
605 °C 605 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 0.437 mPa.s at 20 °C[6]

Value	As written	Source
–	Dichloromethane appears as a colorless liquid with a sweet, penetrating, ether-like odor. Noncombustible by if exposed to high temperatures may emit toxic chloride fumes. Vapors are narcotic in high concentrations. Used as a solvent and paint remover.	[1] CAMEO Chemicals
–	CBI; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	VERY VOLATILE COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a chloroform-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a chloroform-like odor. [Note: A gas above 104 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–	Colorless liquid [Note: A gas above 104 degrees F]	[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, volatile liquid	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 827

Value	As written	Source
–	Sweet, pleasant odor, like chloroform	[6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
–shown	Chloroform like odor	[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
–	Penetrating ether-like odor	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 827
–	Slightly sweet smell, similar to that of trichloromethane	[6] Hazardous Substances Data Bank (HSDB)cites Rossberg M et al; Chloromethanes. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Oct 15, 2011.

Value	As written	Source
−96.7 °Cshown	-142.1 °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.
−97 °C	-97 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−95 °C	-139 °F	[4] Occupational Safety and Health Administration (OSHA)
−97.2 °C	-97.2 °C	[7] PAC Chemical Database, U.S. Department of Energy
−95 °C	-139 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
39.8 °Cshown	103.6 °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.
40 °C	40 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
40 °C	104 °F	[4] Occupational Safety and Health Administration (OSHA)
40 °C	40 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
40 °C	104 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.322 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): 1.3 (20 °C)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.33	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.3266 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.33	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	10 to 50 mg/mL at 70 °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, 13,200 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 4
–	In water, 13,000 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Horvath AL; Halogenated Hydrocarbons: Solubility-Miscibility With Water NY: Marcel Dekker (1982)
–shown	Solubility in water, g/100ml at 20 °C: 1.3 (moderate)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	2%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 1.25	[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. 3
–shown	1.25	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
440 mmHg	440 mmHg at 77 °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.
435 mmHgshown	435 mm Hg at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
360 mmHg	Vapor pressure, kPa at 20 °C: 47.4	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
750 mmHg	750 [mm Hg] @39.299999999999997 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
640 °C	1184 °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.
556 °Cshown	1033 °F (556 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-84
605 °C	605 °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: 3
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
XLogP3: 1.5 PubChem
Complexity: 2 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C14.14%
H2.37%
Cl83.48%

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: 1.42 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.26 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.83 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 84.93
log P ≤ 5 (Crippen): 1.42
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

Warning

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

Health hazard

NFPA 704[6]

H351Suspected of causing cancer

Precautionary statements: P203, P280, P318, P405, P501

View all classifications (4)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH351
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.2% (4 of 1930) of reports.
[9] European Chemicals Agency (ECHA) · 1,930 reports · WarningH302, H315, H319, H336, H341, H351, H373
[6] Hazardous Substances Data Bank (HSDB) · WarningH315, H319, H335, H336, H351, H373

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 25 ppm [12.5 ppm Action Level][4]
PEL-STEL (Short Term Exposure Limit): 125 ppm[4]
PEL: [1910.1052] TWA 25 ppm ST 125 ppm[5]
REL: Ca See Appendix A[5]
TLV: 50 ppm as TWA; A3 (confirmed animal carcinogen with unknown relevance to humans); (skin).[3]
TLV-TWA (Time Weighted Average): 50 ppm [1997][4]

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: · 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]

Storage

Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Well closed. Cool. Ventilation along the floor.[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. Heat sensitive. Store under inert gas.[6]
To minimize the decomp of dichloromethane, storage containers should be galvanized or lined with a phenolic coating.[6]

Incompatibilities

Mixtures of (dinitrogen) tetraoxide with ... Dichloromethane ... Are explosive when subjected to shock of 25 g TNT equiv or less.[6]
Mixtures of lithium shavings with several halocarbon derivatives are impact sensitive and will explode, sometimes violently. Such materials include: ... Dichloromethane ....[6]
Dichloromethane dissolves endothermically in concentrated nitric acid to give a detonable soln.[6]
Contact of 1.5 g portions of the solid (potassium tert-butoxide) ... With drops of ... Dichloromethane caused ignition after ... 2 min.[6]

Safety data sheets on the supplier’s page: Glentham Life Sciences Ltd., MolCore, CATO Research Chemicals Inc..

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.