2-Cyanophenyl isocyanate

• CAS: 42066-86-4
• Catalog Number: ACM42066864
• Category: Other Products
• Molecular Weight: 144.13
• Molecular Formula: C₈H₄N₂O
• Synonyms: 2-CYANOPHENYL ISOCYANATE;2-ISOCYANATOBENZONITRILE;2-ISOBUTYLTHIAZOLE
• IUPAC Name: 2-isocyanatobenzonitrile
• Canonical SMILES: C1=CC=C(C(=C1)C#N)N=C=O
• InChI Key: FQLNVWAFXQUXGW-UHFFFAOYSA-N
• Boiling Point: 266.2ºC at 760 mmHg
• Melting Point: 61ºC
• Flash Point: 114.8ºC
• Density: 1.09 g/cm³
• Exact Mass: 144.03200
• Hazard Statements: Xi: Irritant;Xn: Harmful
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: S26-S36/37/39

Synthetic Use

Downstream Synthesis Route 1

• 35196-48-6
• 42066-86-4

• 87611-10-7

Reference: [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 281 - 290

Downstream Synthesis Route 2

• 42066-86-4
• 3530-14-1

• 130408-09-2

Reference: [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 281 - 290

* For details of the synthesis route, please refer to the original source to ensure accuracy.