Molecular properties
- Formula
- C6H13Cl
- Molar mass
- 120.62 g·mol−1
- Exact mass
- 120.0706 Da
- 0
- 0
- 0
- 0.00 Ų
- 3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 638-28-8
- PubChem CID
- 12521
Molecule record
2-CHLOROHEXANE
C6H13Cl
120.62 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
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-Hexyl chloride
- 2-chloro-hexane
- 211-329-6
- 638-28-8
- AKOS009159284
- AS-87668
- CHEBI:229298
- DTXCID40815913
Show all 22 synonyms
- DTXSID00867751
- Dabigatran Etexilate Impurity 55
- EINECS 211-329-6
- Hexane, 2-chloro-
- MFCD00039351
- RefChem:786321
- SCHEMBL22804225
- SCHEMBL2535452
- SCHEMBL2930674
- SCHEMBL42880
- SCHEMBL7872210
- SCHEMBL7875960
- SCHEMBL8862230
- SY055900
Structure identifiers
- Canonical SMILES
- CCCCC(C)Cl
- Isomeric SMILES
- CCCCC(C)Cl
- InChI
- InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
- InChIKey
- GLCIPJOIEVLTPR-UHFFFAOYSA-N
- PubChem CID
- 12521
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-CHLOROHEXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-CHLOROHEXANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.