Molecular properties
- Formula
- C6H5Br
- Molar mass
- 157.01 g·mol−1
- Exact mass
- 155.9575 Da
- 4
- 0
- 0
- 0.00 Ų
- 3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 108-86-1
- PubChem CID
- 7961
Molecule record
BROMOBENZENE
C6H5Br
157.01 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
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Bromobenzene
- 108-86-1
- 203-623-8
- 4-bromobenzene
- BR1026
- BROMO-BENZENE
- BROMOBENZOL
- Benzene, bromo-
Show all 22 synonyms
- Bromobenzene 100 microg/mL in Methanol
- C6H5Br
- CHEBI:3179
- CO4D5J547L
- DTXCID304637
- DTXSID5024637
- MFCD00000055
- Monobromobenzene
- NCI-C55492
- NSC-6529
- PhBr
- Phenyl bromide
- Phenylbromide
- RefChem:5616
Structure identifiers
- Canonical SMILES
- C1=CC=C(C=C1)Br
- Isomeric SMILES
- C1=CC=C(C=C1)Br
- InChI
- InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
- InChIKey
- QARVLSVVCXYDNA-UHFFFAOYSA-N
- PubChem CID
- 7961
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for BROMOBENZENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for BROMOBENZENE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.