Molecular properties
- Formula
- C7H5ClO
- Molar mass
- 140.56 g·mol−1
- Exact mass
- 140.0029 Da
- 5
- 0
- 1
- 17.10 Ų
- 2.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 98-88-4
- PubChem CID
- 7412
Molecule record
BENZOYL CHLORIDE
C7H5ClO
140.56 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- 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
Alkene
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 202-710-8
- 98-88-4
- Benzaldehyde, .alpha.-chloro-
- Benzaldehyde, alpha-chloro-
- Benzenecarbonyl chloride
- Benzoic acid, chloride
- Benzoyl Chloride-13C6
- Benzoyl chloride, ReagentPlus(R), >=99%
Show all 21 synonyms
- BenzoylChloride-13C7
- Benzoylchloride
- CCRIS 802
- CHEBI:82275
- DTXCID106631
- DTXSID9026631
- HSDB 383
- MFCD00000653
- RefChem:5591
- VTY8706W36
- alpha-Chlorobenzaldehyde
- benzoyl-carbonyl-13c chloride
- benzoylchlorid
Structure identifiers
- Canonical SMILES
- C1=CC=C(C=C1)C(=O)Cl
- Isomeric SMILES
- C1=CC=C(C=C1)C(=O)Cl
- InChI
- InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
- InChIKey
- PASDCCFISLVPSO-UHFFFAOYSA-N
- PubChem CID
- 7412
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
3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for BENZOYL CHLORIDE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for BENZOYL 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.