4-Isocyanobenzonitrile
4-isocyanobenzonitrile
Also Known As: 4-isocyanobenzonitrile|4-isocyanobenzonitril|4-Cyanophenylisocyanide|4-Cyanophenyl isocyanide|Benzonitrile,4-isocyano-|4-cyano-1-isocyanobenzene|Benzonitrile, 4-isocyano-|4-isocyanobenzenecarbonitrile|TOS-BB-0771|Benzonitrile, 4-isocyano- (9CI)|5628AH|A-9337
CAS: 2980-80-5
| Molecular Formula | C8H4N2 |
|---|---|
| Molecular Weight | 128.03745 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.03745 |
| Monoisotopic Mass | 128.03745 |
| Heavy Atoms | 10 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 2980-80-5 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=C(C=C1)C#N |
| InChIKey | CIROOWQVERYDSK-UHFFFAOYSA-N |
Product Overview
4-Isocyanobenzonitrile (CAS 2980-80-5), with molecular formula C8H4N2 and molecular weight 128.03745 g/mol. IUPAC: 4-isocyanobenzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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