Molecular properties
- Formula
- C6H13Br
- Molar mass
- 165.07 g·mol−1
- Exact mass
- 164.0201 Da
- 0
- 0
- 0
- 0.00 Ų
- 3.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-25-1
- PubChem CID
- 8101
Molecule record
1-BROMOHEXANE
C6H13Br
165.07 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
Alkyl halide
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Hexyl bromide
- 1-bromo-hexane
- 1-hexylbromide
- 111-25-1
- 203-850-2
- 6-bromohexane
- Bromohexane
- DTXCID101929
Show all 22 synonyms
- DTXSID4021929
- EINECS 203-850-2
- Hexane, 1-bromo-
- Hexyl bromide
- MFCD00000271
- NSC 71206
- NSC-71206
- Pentane, bromomethyl-
- RefChem:75167
- UNII-WVA0FAX7GA
- WVA0FAX7GA
- hexylbromide
- n-Hexyl bromide
- n-hexylbromide
Structure identifiers
- Canonical SMILES
- CCCCCCBr
- Isomeric SMILES
- CCCCCCBr
- InChI
- InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChIKey
- MNDIARAMWBIKFW-UHFFFAOYSA-N
- PubChem CID
- 8101
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 1-BROMOHEXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-BROMOHEXANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.