1-(4-Isocyanatophenyl)-3,5-dimethyl-1H-pyrazole
[CAS# 937796-04-8]

Identification

• Name: 1-(4-Isocyanatophenyl)-3,5-dimethyl-1H-pyrazole
• Synonyms: 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-isocyanatobenzene; 1-(4-Isocyanatophenyl)-3,5-dimethyl-1H-pyrazole; 3,5-Dimethyl-1-(4-isocyanatophenyl)-1H-pyrazole
• Molecular Formula: C₁₂H₁₁N₃O
• Molecular Weight: 213.24
• CAS Registry Number: 937796-04-8
• SMILES: Cc1cc(n(n1)c2ccc(cc2)N=C=O)C
• InChI: 1S/C12H11N3O/c1-9-7-10(2)15(14-9)12-5-3-11(4-6-12)13-8-16/h3-7H,1-2H3
• InChIKey: UMLKVWYKGPVEGG-UHFFFAOYSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 324.765°C at 760 mmHg (Cal.)
• Flash point: 150.213°C (Cal.)
• Refractive index: 1.601 (Cal.)

Safety Data

• Safety Description: Toxic/Harmful/Lachrymatory/Moisture Sensitive/Keep Cold/Store under Argon