Molecular properties
- Formula
- C7H4BrN
- Molar mass
- 182.02 g·mol−1
- Exact mass
- 180.9527 Da
- 6
- PubChem CID
- 16272
Molecule record
2-bromobenzonitrile
C7H4BrN
182.02 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Bromo-2-cyanobenzene
- 2-Bromobenzenecarbonitrile
- 2-CYANO-1-BROMOBENZENE
- 2042-37-7
- 218-045-1
- 8LSJ4JR86W
- B1369
- Benzonitrile, 2-bromo-
Show all 24 synonyms
- Benzonitrile, o-bromo-
- CS-W007475
- DTXCID0096857
- DTXSID50174366
- EN300-49152
- MFCD00001772
- NSC-59730
- NSC59730
- PS-4959
- RefChem:85849
- STL168043
- STR06628
- Z57899728
- bromobenzonitrile
- o-Bromobenzonitrile
- o-Bromocyanobenzene
Structure identifiers
- Canonical SMILES
- N#Cc1ccccc1Br
- Isomeric SMILES
- C1=CC=C(C(=C1)C#N)Br
- InChI
- InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H
- InChIKey
- AFMPMSCZPVNPEM-UHFFFAOYSA-N
- PubChem CID
- 16272
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 2-bromobenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-bromobenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.