4-Isocyanatobenzyl cyanide
2-(4-isocyanatophenyl)acetonitrile
Also Known As: 4-Isocyanatobenzyl cyanide|2-(4-isocyanatophenyl)acetonitrile|ACMC-20amfz|p-cyanomethylphenyl isocyanate|(4-Isocyanatophenyl)acetonitrile|4-Isocyanatobenzyl cyanide, 97%|Benzeneacetonitrile, 4-isocyanato-|4-ISOCYANATOBENZYL CYANIDE 97|Benzeneacetonitrile, 4-isocyanato- (9CI)|4-Isocyanatobenzyl cyanide, 2-(4-isocyanatophenyl)acetonitrile, 59513-89-2, ACMC-20amfz, AC1NDILP, 569070_ALDRICH, CTK8C5865, AKOS010078727, AG-G-12125|626-204-5
CAS: 59513-89-2
| Molecular Formula | C9H6N2O |
|---|---|
| Molecular Weight | 158.04802 g/mol |
| LogP | 1.71998 |
| Topological Polar Surface Area | 53.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.04802 |
| Monoisotopic Mass | 158.04802 |
| Heavy Atoms | 12 |
| Complexity | 341.78644 |
Chemical Identifiers
| CAS Number | 59513-89-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)N=C=O |
Product Overview
4-Isocyanatobenzyl cyanide (CAS 59513-89-2), with molecular formula C9H6N2O and molecular weight 158.04802 g/mol. IUPAC: 2-(4-isocyanatophenyl)acetonitrile.
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.
View MSDS →
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