Molecular properties
- Formula
- C6H13Cl
- Molar mass
- 120.62 g·mol−1
- Exact mass
- 120.0706 Da
- 0
- PubChem CID
- 33016
Molecule record
3-chlorohexane
C6H13Cl
120.62 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 219-072-1
- 2346-81-8
- 3-Hexyl Chloride
- 3-chloro-hexane
- AKOS009159001
- CS-0102884
- CS-16751
- DB-046156
Show all 24 synonyms
- DTXCID10818633
- DTXSID90870956
- Dabigatran Etexilate Impurity 56
- EINECS 219-072-1
- Hexane, 3-chloro-
- MFCD00039350
- NS00048085
- RefChem:1067630
- SCHEMBL1743371
- SCHEMBL28268181
- SCHEMBL483757
- SCHEMBL712721
- SCHEMBL7871014
- SCHEMBL7871161
- SCHEMBL7875942
- SY055901
Structure identifiers
- Canonical SMILES
- CCCC(Cl)CC
- Isomeric SMILES
- CCCC(CC)Cl
- InChI
- InChI=1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
- InChIKey
- BXSMMAVTEURRGG-UHFFFAOYSA-N
- PubChem CID
- 33016
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 3-chlorohexane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-chlorohexane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.