Molecular properties
- Formula
- C8H7N
- Molar mass
- 117.15 g·mol−1
- Exact mass
- 117.0578 Da
- 6
- PubChem CID
- 7724
Molecule record
4-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-4-cyanobenzene
- 104-85-8
- 4-Cyanotoluene
- 4-Methylcyanobenzene
- 4-Toluenkarbonitril
- 4-Toluenkarbonitril [Czech]
- 4-Tolunitrile
- AI3-14826
Show all 24 synonyms
- Benzonitrile, 4-methyl-
- CCRIS 4737
- EINECS 203-244-8
- H20555V8NO
- NSC 70985
- Nitril kyseliny p-toluylove
- Nitril kyseliny p-toluylove [Czech]
- p-Cyanotoluene
- p-Methylbenzonitrile
- p-Toluenenitrile
- p-Toluic nitrile
- p-Tolunitril
- p-Tolunitril [Czech]
- p-Tolunitrile
- p-Toluonitrile
- p-Tolylnitrile
Structure identifiers
- Canonical SMILES
- Cc1ccc(C#N)cc1
- Isomeric SMILES
- CC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
- InChIKey
- VCZNNAKNUVJVGX-UHFFFAOYSA-N
- PubChem CID
- 7724
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 4-methylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-methylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.