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Molecule record

1-bromo-3-methylbenzene

C7H7Br

171.04 g/mol

Loading structure

Molecular properties

Formula
C7H7Br
Molar mass
171.04 g·mol−1
Exact mass
169.9731 Da
4
PubChem CID
11560

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

  • 3-BROMOTOLUENE
  • 3-BROMOTOLUENE [HSDB]
  • 3-Bromo-1-methylbenzene
  • 3-Methyl-1-bromobenzene
  • 3-Methylbromobenzene
  • 3-methylphenyl bromide
  • 3-tolyl bromide
  • 5-Bromotoluene
Show all 24 synonyms
  • 591-17-3
  • 9426O61G73
  • BRN 1903633
  • Benzene, 1-bromo-3-methyl-
  • CCRIS 5981
  • DTXCID704659
  • DTXSID3024659
  • EINECS 209-702-3
  • HSDB 6014
  • M-BROMOMETHYLBENZENE
  • M-METHYLPHENYL BROMIDE
  • Toluene, 3-bromo-
  • Toluene, m-bromo-
  • m-Bromotoluene
  • m-Methylbromobenzene
  • m-Tolyl bromide

Structure identifiers

Canonical SMILES
Cc1cccc(Br)c1
Isomeric SMILES
CC1=CC(=CC=C1)Br
InChI
InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey
WJIFKOVZNJTSGO-UHFFFAOYSA-N
PubChem CID
11560

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-bromo-3-methylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-bromo-3-methylbenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
1-bromo-3-methylbenzene - Formula, Structure | ChemArche