Molecular properties
- Formula
- C6H5Cl
- Molar mass
- 112.55 g·mol−1
- Exact mass
- 112.0080 Da
- 4
- 0
- 0
- 0.00 Ų
- 2.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 108-90-7
- PubChem CID
- 7964
Molecule record
CHLOROBENZENE
C6H5Cl
112.55 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- 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
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 108-90-7
- Benzene chloride
- Benzene, chloro-
- Chloorbenzeen
- Chlorbenzene
- Chlorbenzol
- Chlorobenzen
- Chlorobenzenu
Show all 22 synonyms
- Chlorobenzol
- Clorobenzene
- DTXSID4020298
- I P Carrier T 40
- Monochloorbenzeen
- Monochlorbenzene
- Monochlorbenzol
- Monochlorobenzene
- Monoclorobenzene
- NCI-C54886
- PhCl
- Phenyl chloride
- Tetrosin SP
- chloro-benzene
Structure identifiers
- 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
- PubChem CID
- 7964
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
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 CHLOROBENZENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for CHLOROBENZENE; 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.