Acetyl chloride

Athanor · official

C₂H₃ClO · 78.5 g/mol

Also called AcCl, ethanoyl chloride

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHighly Flammable liquid and vapor · Causes severe skin burns and eye damage

Names and identifiers

IUPAC name: acetyl chloride
Synonyms: AcCl, ethanoyl chloride, Ethanoyl chloride
+ 36 more
Acetic chloride, Acetic acid chloride, Acetylchloride, Acetic acid, chloride, QD15RNO45K, DTXSID2023852, CHEBI:37580, RefChem:5510, DTXCID203852, 200-865-6, CH3COCl, RCRA waste number U006, CH3-CO-Cl, MFCD00000719, C2H3ClO, Acetyl chloride, reagent grade, 98%, CCRIS 4568, HSDB 662, EINECS 200-865-6, UN1717, RCRA waste no. U006, UNII-QD15RNO45K, acetylchlorid, acetylchlorine, BRN 0605303, Acetic Acid Chloride; Acetic Chloride; Ethanoyl Chloride; AcCl, acetyl chlorid, acetyl chlorine, acetyl choride, acetyl cloride, actyl chloride, Acteyl chloride, Ac-Cl, methyl carbonyl chloride, Acetic acid monochloride, ACETIC ACID,CHLORIDE
Molecular formula: C₂H₃ClO
Empirical formula: C₂H₃ClO
Molecular weight: 78.5 g/mol
Exact mass: 77.98724
CAS number: 75-36-5
PubChem CID: 6367
Canonical SMILES: CC(=O)Cl
Isomeric SMILES: CC(=O)Cl
InChI: InChI=1S/C2H3ClO/c1-2(3)4/h1H3
InChIKey: WETWJCDKMRHUPV-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless fuming liquid[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Acetyl chloride appears as a colorless, fuming liquid with a pungent odor. Density 9.2 lb / gal. Flash point 40 °F. Vapor, which is heavier than air, irritates the eyes and mucous membranes. Corrosive to metals and tissue. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS FUMING LIQUID WITH PUNGENT ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown Colorless fuming liquid [4] 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. 13
Odor: Sharp odor[4]
Melting point: -112.8 °C[5]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
−112 °C -170 °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.
−112 °C -112 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−112.8 °Cshown -112.8 °C [5] PAC Chemical Database, U.S. Department of Energy
Boiling point: 50.9 °C (123.6 °F) at 760 mmHg (NTP, 1992)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
50.9 °Cshown 123.6 °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.
51 °C 51 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
50.7 °C 50.7 °C @760 [mm Hg] [5] PAC Chemical Database, U.S. Department of Energy
Density: 1.1051 @ 20°C[5]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
– 1.1039 at 69.8 °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)
–shown 1.1051 @ 20°C [5] 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.
Solubility in water: Solubility in water: reaction[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Reaction (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.
– Soluble in ether, acetone, acetic acid [4] 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. 13
–shown Solubility in water: reaction [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: -0.47[3]
Vapor pressure: 287 mmHg at 25 °C[4]
4 values
2 of 4 sources agree on it (most common value).
Value As written Source
135 mmHg 135 mmHg at 45.5 °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.
287 mmHgshown 287 mm Hg at 25 °C [4] 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.
240 mmHg Vapor pressure, kPa at 20 °C: 32 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
287 mmHg 287 [mm Hg] @25 °C [5] PAC Chemical Database, U.S. Department of Energy
Flash point: 5 °C c.c.[3]
4 values
3 of 3 sources agree on it (most common value).
Value As written Source
4 °C 40 °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.
5 °C 5 °C (41 °F) - closed cup [4] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Acetyl chloride, Product Number: 00990, Version 3.15 (Revision Date 09/28/2017). Available from, as of September 24, 2018: https://www.sigmaaldrich.com/safety-center.html
4 °C 4 °C (40 °F) - closed cup [4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-10
5 °Cshown 5 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: 390 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
390 °C 734 °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.
390 °C 734 °F (390 °C) [4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-10
390 °Cshown 390 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Acetyl chloride appears as a colorless, fuming liquid with a pungent odor. Density 9.2 lb / gal. Flash point 40 °F. Vapor, which is heavier than air, irritates the eyes and mucous membranes. Corrosive to metals and tissue.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS FUMING LIQUID WITH PUNGENT ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	Colorless fuming liquid	[4] 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. 13

Value	As written	Source
−112 °C	-170 °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.
−112 °C	-112 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−112.8 °Cshown	-112.8 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
50.9 °Cshown	123.6 °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.
51 °C	51 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
50.7 °C	50.7 °C @760 [mm Hg]	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	1.1039 at 69.8 °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)
–shown	1.1051 @ 20°C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Reaction (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.
–	Soluble in ether, acetone, acetic acid	[4] 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. 13
–shown	Solubility in water: reaction	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
135 mmHg	135 mmHg at 45.5 °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.
287 mmHgshown	287 mm Hg at 25 °C	[4] 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.
240 mmHg	Vapor pressure, kPa at 20 °C: 32	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
287 mmHg	287 [mm Hg] @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
4 °C	40 °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.
5 °C	5 °C (41 °F) - closed cup	[4] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Acetyl chloride, Product Number: 00990, Version 3.15 (Revision Date 09/28/2017). Available from, as of September 24, 2018: https://www.sigmaaldrich.com/safety-center.html
4 °C	4 °C (40 °F) - closed cup	[4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-10
5 °Cshown	5 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
390 °C	734 °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.
390 °C	734 °F (390 °C)	[4] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-10
390 °Cshown	390 °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): 0.5
H-bond donors: 0
H-bond acceptors: 1
Rotatable bonds: 0
TPSA (Å²): 17.1
Formal charge: 0
XLogP3: 0.8 PubChem
Complexity: 33 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C30.60%
H3.85%
Cl45.16%
O20.38%

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: 0.77 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.81 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.26 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 78.5
log P ≤ 5 (Crippen): 0.77
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 1

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 [6].

Flammable
Corrosive

NFPA 704[4]

H225Highly Flammable liquid and vapor
H314Causes severe skin burns and eye damage

Precautionary statements: P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

View all classifications (3)

[6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H314
[7] European Chemicals Agency (ECHA) · 309 reports · DangerH225, H290, H302, H314, H318
[4] Hazardous Substances Data Bank (HSDB) · DangerH225, H314, H318, H402

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…[8]
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.[3]
Wear protective gloves when administering first aid. First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer immediately for medical attention.[3]

Storage

Fireproof. Store in an area without drain or sewer access. Separated from incompatible materials. See Chemical Dangers. Dry. Well closed.[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. Keep away from water. Never allow product to get in contact with water during storage. Hydrolyzes readily. Handle and store under inert gas.[4]
Separate from alcohols, alkalies, amines, and strong oxidizing materials. Store in a cool, dry well-ventilated location. Outside or detached storage is preferred. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet.[4]

Incompatibilities

Incompatible materials: Water, alcohols, oxidizing agents, strong bases.[4]
Dimethyl sulfoxide decomposes violently on contact with ... Acetyl choride ... .[4]
Acetyl chloride reacts violently with ethyl alcohol or water.[4]
Water reactive. Violent exothermic decomposition with water produces corrosive hydrochloric and acetic acids. Reacts violently with alcohols, alkalies, amines, and strong oxidizing materials.[4]

Safety data sheets on the supplier’s page: Aladdin Scientific, LGC Standards, Yuhao Chemical.

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

Spectra

NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
1H NMRSpectraBase (Varian A-60)
13C NMRSpectraBase
17O NMRSpectraBase
GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · SpectraBase
Other MSHazardous Substances Data Bank (HSDB)
UVHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (Bruker IFS 85 · Cell)
ATR-IRSpectraBase
Near IRSpectraBase (BRUKER IFS 88 · NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=10718,REO=2,CNM=HEI,ZFF=2)
Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
RamanSpectraBase

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]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
[7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[8]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[9]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[11]NIST Mass Spectrometry Data Center · 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.