Molecular properties
- Formula
- C7H15Br
- Molar mass
- 179.10 g·mol−1
- Exact mass
- 178.0357 Da
- 0
- 0
- 0
- 0.00 Ų
- 4.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 629-04-9
- PubChem CID
- 12369
Molecule record
1-BROMOHEPTANE
C7H15Br
179.10 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 | 4.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Bromo heptane
- 1-Bromo-heptane; 1-Heptyl Bromide; Heptyl Bromide; NSC 7315; n-Heptyl Bromide
- 1-Bromoheptane, 99%
- 1-bromo-heptane
- 1-heptylbromide
- 1-n-heptylbromide
- 1bromoheptane
- 629-04-9
Show all 21 synonyms
- BR1073
- EINECS 211-068-8
- Heptane, 1-bromo-
- Heptyl bromide
- MFCD00000273
- NSC 7315
- SCHEMBL43205
- bromo-heptane
- bromoheptane
- bromomethylhexane
- heptylbromide
- n-Heptyl bromide
- n-heptylbromide
Structure identifiers
- Canonical SMILES
- CCCCCCCBr
- Isomeric SMILES
- CCCCCCCBr
- InChI
- InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
- InChIKey
- LSXKDWGTSHCFPP-UHFFFAOYSA-N
- PubChem CID
- 12369
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-BROMOHEPTANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-BROMOHEPTANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.