3-Isocyanato-4-methylbenzoyl chloride
[CAS# 98592-37-1]

Identification

• Name: 3-Isocyanato-4-methylbenzoyl chloride
• Molecular Formula: C₉H₆ClNO₂
• Molecular Weight: 195.60
• CAS Registry Number: 98592-37-1
• SMILES: CC1=C(C=C(C=C1)C(=O)Cl)N=C=O
• InChI: 1S/C9H6ClNO2/c1-6-2-3-7(9(10)13)4-8(6)11-5-12/h2-4H,1H3
• InChIKey: FWVZNHKQUZIURX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 294.0±28.0°C at 760 mmHg (Cal.)
• Flash point: 114.9±13.2°C (Cal.)