Molecular properties
- Formula
- C2H3ClO
- Molar mass
- 78.50 g·mol−1
- Exact mass
- 77.9872 Da
- 1
- 0
- 1
- 17.10 Ų
- 0.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 75-36-5
- PubChem CID
- 6367
Molecule record
ACETYL CHLORIDE
C2H3ClO
78.50 g/mol
Interactions
- Polarity
- Polar functional group with nonpolar contribution from the carbon skeleton.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Acid chloride
Ketone
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 200-865-6
- 75-36-5
- Acetic acid chloride
- Acetic chloride
- Acetyl chloride, reagent grade, 98%
- Acetylchloride
- C2H3ClO
- CCRIS 4568
Show all 21 synonyms
- CH3-CO-Cl
- CH3COCl
- CHEBI:37580
- DTXCID203852
- DTXSID2023852
- EINECS 200-865-6
- Ethanoyl chloride
- HSDB 662
- MFCD00000719
- QD15RNO45K
- RCRA waste number U006
- RefChem:5510
- UN1717
Structure identifiers
- Canonical SMILES
- CC(=O)Cl
- Isomeric SMILES
- CC(=O)Cl
- InChI
- InChI=1S/C2H3ClO/c1-2(3)4/h1H3
- InChIKey
- WETWJCDKMRHUPV-UHFFFAOYSA-N
- PubChem CID
- 6367
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for ACETYL CHLORIDE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ACETYL CHLORIDE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.