Chlorobenzene

Athanor · official

C₆H₅Cl · 112.55 g/mol

Also called phenyl chloride, monochlorobenzene

Reagents Rings

Open in Athanor

Drawn from its SMILES with RDKit

WarningFlammable liquid and vapor · Causes skin irritation · Harmful if inhaled · Toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: chlorobenzene
Synonyms: phenyl chloride, monochlorobenzene, Monochlorobenzene
+ 37 more
Phenyl chloride, Benzene chloride, Chlorobenzol, Chlorbenzene, Monochlorbenzene, Monochlorbenzol, Chlorbenzol, Benzene, chloro-, Tetrosin SP, Chlorobenzen, Clorobenzene, Chloorbenzeen, Monoclorobenzene, Monochloorbenzeen, Chlorobenzenu, chloro-benzene, PhCl, NCI-C54886, I P Carrier T 40, DTXSID4020298, CP 27, CCRIS 1357, NSC-8433, K18102WN1G, DTXCID40298, CHEBI:28097, RefChem:125373, CHLOROBENZENE, MONO, 203-628-5, 610-564-5, Chlorobenzene, mono-, chloro benzene, C6H5Cl, 4-chlorobenzene, NSC 8433, Abluton T30, IP Carrier T 40
Molecular formula: C₆H₅Cl
Empirical formula: C₆H₅Cl
Molecular weight: 112.55 g/mol
Exact mass: 112.00798
CAS number: 108-90-7
PubChem CID: 7964
Canonical SMILES: C1=CC=C(C=C1)Cl
Isomeric SMILES: C1=CC=C(C=C1)Cl
InChI: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Clear volatile liquid[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Chlorobenzene appears as a colorless to clear, yellowish liquid with a sweet almond-like odor. Flash point 84 °F. Practically insoluble in water and somewhat denser than water (9.2 lb / gal). Vapors heavier than air. Used to make pesticides, dyes, and other chemicals. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with an almond-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with an almond-like odor. [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Clear 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. 277
Odor: Mild aromatic[6]
5 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Almond-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. 277
– Mild amine odor [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 Mild aromatic [6] Hazardous Substances Data Bank (HSDB)cites Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 1985. 2nd ed. Park Ridge, NJ: Noyes Data Corporation, 1985., p. 225
– Characteristic, penetrating odor. [6] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 197
– Weak, benzene-like odor. [6] Hazardous Substances Data Bank (HSDB)cites Stoye D; Solvents. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Jun 15, 2000
Melting point: -45.31 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−45 °C -49 °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.
−45 °C -45 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−46 °C -50 °F [4] Occupational Safety and Health Administration (OSHA)
−45.3 °Cshown -45.31 °C [7] PAC Chemical Database, U.S. Department of Energy
−46 °C -50 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 131.72 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
132 °C 270 °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.
132 °C 132 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
132 °C 270 °F [4] Occupational Safety and Health Administration (OSHA)
131.7 °Cshown 131.72 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
132 °C 270 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.1058 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 1.11 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): 1.11 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.11 [4] Occupational Safety and Health Administration (OSHA)
–shown 1.1058 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.11 [5] The National Institute for Occupational Safety and Health (NIOSH)
7 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Solubility in water: Solubility in water, g/100ml at 20 °C: 0.05[3]
6 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 68 °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, 499 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. 220
– In water, 0.05 g/100g at 20 °C [6] Hazardous Substances Data Bank (HSDB)cites Beck U, Loser E; Chlorinated Benzenes and other Nucleus-Chlorinated Aromatic Hydrocarbons. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Oct 15, 2011
– For more Solubility (Complete) data for CHLOROBENZENE (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water, g/100ml at 20 °C: 0.05 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.05% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 2.18/2.84[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
– log Kow = 2.84 [6] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Database. A databank of evaluated octanol-water partition coefficients (Log P). Available from, as of May 13, 2014: https://logkow.cisti.nrc.ca/logkow/search.html
–shown 2.18/2.84 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 12.0 mmHg at 25 °C[6]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
8.8 mmHg 8.8 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.
11.8 mmHg 11.8 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.
12 mmHgshown 12.0 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.
8.8 mmHg Vapor pressure, kPa at 20 °C: 1.17 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg 7.5 [mm Hg] @16.8 °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: 27 °C c.c.[3]
6 values
3 of 5 sources agree on it (most common value).
Value As written Source
24 °C 75 °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.
28 °C 82 °F (Closed Cup) 28 °C [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-29
36 °C 97 °F (open cup) [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.
27 °Cshown 27 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
24 °C 75 °F [4] Occupational Safety and Health Administration (OSHA)
28 °C 82 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 593 °C (1099 °F)[6]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
593 °C 1099 °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.
593 °Cshown 1099 °F (593 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-29
590 °C 590 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 0.806 mPa.s at 20 °C[6]

Value	As written	Source
–	Chlorobenzene appears as a colorless to clear, yellowish liquid with a sweet almond-like odor. Flash point 84 °F. Practically insoluble in water and somewhat denser than water (9.2 lb / gal). Vapors heavier than air. Used to make pesticides, dyes, and other chemicals.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with an almond-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with an almond-like odor.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Clear 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. 277

Value	As written	Source
–	Almond-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. 277
–	Mild amine odor	[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	Mild aromatic	[6] Hazardous Substances Data Bank (HSDB)cites Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 1985. 2nd ed. Park Ridge, NJ: Noyes Data Corporation, 1985., p. 225
–	Characteristic, penetrating odor.	[6] Hazardous Substances Data Bank (HSDB)cites Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 197
–	Weak, benzene-like odor.	[6] Hazardous Substances Data Bank (HSDB)cites Stoye D; Solvents. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Jun 15, 2000

Value	As written	Source
−45 °C	-49 °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.
−45 °C	-45 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−46 °C	-50 °F	[4] Occupational Safety and Health Administration (OSHA)
−45.3 °Cshown	-45.31 °C	[7] PAC Chemical Database, U.S. Department of Energy
−46 °C	-50 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
132 °C	270 °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.
132 °C	132 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
132 °C	270 °F	[4] Occupational Safety and Health Administration (OSHA)
131.7 °Cshown	131.72 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
132 °C	270 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.11 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): 1.11	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.11	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.1058 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.11	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	less than 1 mg/mL at 68 °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, 499 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. 220
–	In water, 0.05 g/100g at 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites Beck U, Loser E; Chlorinated Benzenes and other Nucleus-Chlorinated Aromatic Hydrocarbons. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2014). New York, NY: John Wiley & Sons. Online Posting Date: Oct 15, 2011
–	For more Solubility (Complete) data for CHLOROBENZENE (6 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water, g/100ml at 20 °C: 0.05	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.05%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 2.84	[6] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Database. A databank of evaluated octanol-water partition coefficients (Log P). Available from, as of May 13, 2014: https://logkow.cisti.nrc.ca/logkow/search.html
–shown	2.18/2.84	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
8.8 mmHg	8.8 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.
11.8 mmHg	11.8 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.
12 mmHgshown	12.0 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.
8.8 mmHg	Vapor pressure, kPa at 20 °C: 1.17	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg	7.5 [mm Hg] @16.8 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
24 °C	75 °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.
28 °C	82 °F (Closed Cup) 28 °C	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-29
36 °C	97 °F (open cup)	[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.
27 °Cshown	27 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
24 °C	75 °F	[4] Occupational Safety and Health Administration (OSHA)
28 °C	82 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
593 °C	1099 °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.
593 °Cshown	1099 °F (593 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-29
590 °C	590 °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: 7
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
XLogP3: 2.9 PubChem
Complexity: 46 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

C64.03%
H4.48%
Cl31.50%

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: 2.34 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.65 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 112.56
log P ≤ 5 (Crippen): 2.34
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].

Flammable
Harmful or irritant
Environmental hazard

NFPA 704[6]

H226Flammable liquid and vapor
H315Causes skin irritation
H332Harmful if inhaled
H411Toxic to aquatic life with long lasting effects

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P317, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, P501

View all classifications (4)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH226, H315, H332, H411
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1231) of reports.
[9] European Chemicals Agency (ECHA) · 1,231 reports · WarningH312, H315, H319, H411
[6] Hazardous Substances Data Bank (HSDB) · WarningH226, H302, H315, H332, H401, H411

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 75 ppm (350 mg/m³)[4]
PEL: TWA 75 ppm (350 mg/m3)[5]
REL: See Appendix D[5]
TLV: 10 ppm as TWA; A3 (confirmed animal carcinogen with unknown relevance to humans); BEI issued.[3]
IDLH: 1000 ppm (NIOSH, 2024)[1]
IDLH: 1000 ppm[6]

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. Refer for medical attention.[3]

Storage

Fireproof. Separated from strong oxidants.[3]
Keep container tightly closed in a dry and well-ventilated place. Containers whigh are opened must be carefully resealed and kept upright to prevent leakage.[6]
Storage temp: Ambient[6]

Incompatibilities

Contact with strong oxidizers may cause fires and explosions.[6]
Reacts with strong oxidizing materials.[6]
... Violent reaction with AgClO4.[6]
Strong oxidizers.[6]

Safety data sheets on the supplier’s page: Sigma-Aldrich, LGC Standards, AppChem.

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.