Acetyl chloride

C2H3ClOCAS 75-36-578.50 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C2H3ClO
Molar mass
78.50 g/mol
Exact mass
77.9872 Da
Density
1.1051 g/mL (at 20 °C)
Melting point
−112 °C
Boiling point
52 °C
Critical temperature
234.9 °C (508.0 K)ChemSep
Critical pressure
57.4 barChemSep
Acentric factor
0.334ChemSep
Enthalpy of formation (gas)
−243.51 kJ/molChemSep
Flash point
5 °C (closed cup)
logP
0.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 607-011-00-5), via PubChem.

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

Identifiers

CAS number
75-36-5
SMILES
CC(=O)Cl
InChIKey
WETWJCDKMRHUPV-UHFFFAOYSA-N
InChI
InChI=1S/C2H3ClO/c1-2(3)4/h1H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.66 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 170.4, 30.8.
[M + H]+
[M + H]+ Calcd for C2H4ClO 78.9945
[M + Na]+
[M + Na]+ Calcd for C2H3ClNaO 100.9765
[M − H]−
[M − H]− Calcd for C2H2ClO 76.9800
Elemental analysis
Anal. Calcd for C2H3ClO: C, 30.60; H, 3.85.

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Names and synonyms

3 names
  • Ethanoyl chloride
  • Acetic chloride
  • Acetic acid chloride

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 75-36-5. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Acetyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyryl chloride141-75-332 % similar 3-Methyl-2-butenoyl chloride3350-78-532 % similar Methacryloyl chloride920-46-732 % similar Diacetyl431-03-831 % similar Acetone67-64-131 % similar Phosgene75-44-531 % similar Oxalyl chloride79-37-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloroacetaldehyde107-20-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia