4-ISOCYANATOBENZYL CYANIDE 97

• CAS: 59513-89-2
• Catalog Number: ACM59513892
• Category: Other Products
• Molecular Weight: 158.15674
• Molecular Formula: C9H6N2O
• Synonyms: 4-Isocyanatobenzyl cyanide, 2-(4-isocyanatophenyl)acetonitrile, 59513-89-2, ACMC-20amfz, AC1NDILP, 569070_ALDRICH, CTK8C5865, AKOS010078727, AG-G-12125
• IUPAC Name: 2-(4-isocyanatophenyl)acetonitrile
• Canonical SMILES: C1=CC(=CC=C1CC#N)N=C=O
• InChI Key: DFMDTDBDIAZYNT-UHFFFAOYSA-N
• Boiling Point: 287.2ºC at 760 mmHg
• Melting Point: 38-42ºC(lit.)
• Flash Point: 220 °F
• Density: 1.07g/cm³
• Exact Mass: 158.04800
• Hazard Statements: Xn
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 23-26-36/37-45