1,3,5-Trichloro-2-Isocyanatobenzene
[CAS# 2505-31-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyanate ester / isocyanate
• Name: 1,3,5-Trichloro-2-Isocyanatobenzene
• Synonyms: 1,3,5-Trichloro-2-isocyanatobenzene #; 2,4,6-trichlorobenzenisocyanate; 2,4,6-Trichlorophenyl Isocyanate
• Molecular Formula: C₇H₂Cl₃NO
• Molecular Weight: 222.46
• CAS Registry Number: 2505-31-9
• SMILES: C1=C(C=C(C(=C1Cl)N=C=O)Cl)Cl
• InChI: 1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
• InChIKey: VDYWXVDWKFAUKE-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 67°C (Expl.)
• Boiling point: 263.3±35.0°C at 760 mmHg (Cal.)
• Flash point: 97.7±15.2°C (Cal.)
• Refractive index: 1.597 (Cal.)

Safety Data

• Safety Description: TOXIC