Molecular properties
- Formula
- C7H4BrN
- Molar mass
- 182.02 g·mol−1
- Exact mass
- 180.9527 Da
- 6
- PubChem CID
- 23381
Molecule record
3-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-3-cyanobenzene
- 1Bromo3cyanobenzene
- 230-127-9
- 3-bromo benzonitrile
- 3-bromobenzenecarbonitrile
- 3-cyanobromobenzene
- 6952-59-6
- Benzonitrile, 3-bromo-
Show all 24 synonyms
- Benzonitrile, 3-bromo-(9CI)
- Benzonitrile, 3bromo
- Benzonitrile, 3bromo (9CI)
- Benzonitrile, m-bromo-
- Benzonitrile, mbromo
- DTXCID50142262
- DTXSID00219771
- EINECS 230-127-9
- InChI=1/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4
- MFCD00001796
- NSC 59731
- RefChem:93237
- STXAVEHFKAXGOX-UHFFFAOYSA-N
- UN3439
- m-Bromobenzonitrile
- mBromobenzonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1cccc(Br)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)Br)C#N
- InChI
- InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
- InChIKey
- STXAVEHFKAXGOX-UHFFFAOYSA-N
- PubChem CID
- 23381
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 3-bromobenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-bromobenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.