Molecular properties
- Formula
- C4H9Br
- Molar mass
- 137.02 g·mol−1
- Exact mass
- 135.9888 Da
- 0
- 0
- 0
- 0.00 Ų
- 2.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 109-65-9
- PubChem CID
- 8002
Molecule record
1-Bromobutane
C4H9Br
137.02 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 | 2.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-BROMO-BUTANE
- 1-Butyl bromide
- 109-65-9
- 203-691-9
- Bromobutane
- Butane, 1-bromo-
- Butane, bromo-
- Butane-1,1,1,2,2,3,3,4,4-d9, 4-bromo- (9CI)
Show all 22 synonyms
- Butyl bromide
- CCRIS 831
- DTXCID101903
- DTXSID6021903
- EINECS 203-691-9
- HSDB 2195
- MFCD00000260
- N-BUTYL BROMIDE
- RefChem:430731
- SAV6Y78U3D
- UN1126
- UNII-SAV6Y78U3D
- butylbromide
- n-Butylbromide
Structure identifiers
- Canonical SMILES
- CCCCBr
- Isomeric SMILES
- CCCCBr
- InChI
- InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
- InChIKey
- MPPPKRYCTPRNTB-UHFFFAOYSA-N
- PubChem CID
- 8002
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-Bromobutane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-Bromobutane; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.