Molecular properties
- Formula
- C7H7Br
- Molar mass
- 171.04 g·mol−1
- Exact mass
- 169.9731 Da
- 4
- PubChem CID
- 7236
Molecule record
1-bromo-2-methylbenzene
C7H7Br
171.04 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Methyl-2-bromobenzene
- 2-BROMOTOLUENE
- 2Methylbromobenzene
- 2Tolyl bromide
- 95-46-5
- AI3-26648
- Benzene, 1-bromo-2-methyl-
- Benzene,1-bromo-2-methyl-
Show all 24 synonyms
- CCRIS 5982
- DTXCID404660
- DTXSID2024660
- EINECS 202-421-7
- HSDB 6013
- NSC 6532
- TBG2F2VA19
- Toluene, 2-bromo-
- Toluene, 2bromo
- Toluene, obromo
- UNII-TBG2F2VA19
- o-Bromotoluene
- o-methylbromobenzene
- oBromotoluene
- oTolyl bromide
- oTolylbromide
Structure identifiers
- Canonical SMILES
- Cc1ccccc1Br
- Isomeric SMILES
- CC1=CC=CC=C1Br
- InChI
- InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChIKey
- QSSXJPIWXQTSIX-UHFFFAOYSA-N
- PubChem CID
- 7236
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-bromo-2-methylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-bromo-2-methylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.