Molecular properties
- Formula
- C8H7N
- Molar mass
- 117.15 g·mol−1
- Exact mass
- 117.0578 Da
- 6
- PubChem CID
- 10721
Molecule record
2-methylbenzonitrile
C8H7N
117.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Methyl-2-cyanobenzene
- 2-Cyanotoluene
- 2-Methylbenzenecarbonitrile
- 2-Toluenkarbonitril
- 2-Tolunitrile
- 2-methyl-benzonitrile
- 208-451-7
- 25550-22-5
Show all 24 synonyms
- 3048F2A3KT
- 529-19-1
- Benzonitrile, 2-methyl-
- DTXCID702050
- DTXSID6022050
- Gimeracil Impurity 6
- MFCD00001792
- NSC-66549
- RefChem:855336
- o-Cyanotoluene
- o-Methylbenzonitrile
- o-Toluic nitrile
- o-Tolunitrile
- o-Toluonitrile
- o-Tolylnitrile
- o-tolyl cyanide
Structure identifiers
- Canonical SMILES
- Cc1ccccc1C#N
- Isomeric SMILES
- CC1=CC=CC=C1C#N
- InChI
- InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
- InChIKey
- NWPNXBQSRGKSJB-UHFFFAOYSA-N
- PubChem CID
- 10721
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-methylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-methylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.