Molecular properties
- Formula
- C8H17Br
- Molar mass
- 193.12 g·mol−1
- Exact mass
- 192.0514 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-83-1
- PubChem CID
- 8140
Molecule record
1-Bromooctane
C8H17Br
193.12 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 | 4.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-?Bromooctane(Octyl Bromide)
- 1-BROMO-N-OCTANE
- 1-Bromo octane
- 1-Bromo-octane
- 1-Octylbromide
- 1-octyl bromide
- 111-83-1
- 1219803-37-8
Show all 22 synonyms
- 8-bromooctane
- DTXSID3021938
- EINECS 203-912-9
- MFCD00000276
- NSC 9821
- NSC-9821
- Octane, 1-bromo-
- Octane, bromo-
- Octyl bromide
- Q382HPC6LC
- UNII-Q382HPC6LC
- bromooctane
- n-Octyl bromide
- n-octylbromide
Structure identifiers
- Canonical SMILES
- CCCCCCCCBr
- Isomeric SMILES
- CCCCCCCCBr
- InChI
- InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChIKey
- VMKOFRJSULQZRM-UHFFFAOYSA-N
- PubChem CID
- 8140
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-Bromooctane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-Bromooctane; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.