Molecular properties
- Formula
- C8H4N2
- Molar mass
- 128.13 g·mol−1
- Exact mass
- 128.0374 Da
- 8
- PubChem CID
- 12276
Molecule record
benzene-1,3-dicarbonitrile
C8H4N2
128.13 g/mol
Loading structure
Functional groups
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1,3-BIS(CYANO)BENZENE
- 1,3-Benzendikarbonitril
- 1,3-Benzenedicarbonitrile
- 1,3-Benzodinitrile
- 1,3-DICYANOBENZENE
- 3-Cyanobenzonitrile
- 626-17-5
- 7G36N0292W
Show all 24 synonyms
- CHEBI:38218
- DTXCID207259
- DTXSID7027259
- Dinitrile of isophthalic acid
- Isoftalodinitril
- Isoftalonitril
- Isophthalodinitrile
- Isophthalonitrile
- META-DICYANOBENZENE
- NSC 87880
- Nitril kyseliny isoftalove
- RefChem:414327
- m-Benzenedinitrile
- m-Dicyanobenzene
- m-PDN
- m-Phthalodinitrile
Structure identifiers
- Canonical SMILES
- N#Cc1cccc(C#N)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)C#N)C#N
- InChI
- InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
- InChIKey
- LAQPNDIUHRHNCV-UHFFFAOYSA-N
- PubChem CID
- 12276
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 benzene-1,3-dicarbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for benzene-1,3-dicarbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.