4-Isocyanato-3,5-dimethyl-1-phenyl-1H-pyrazole
[CAS# 637335-93-4]

Identification

• Name: 4-Isocyanato-3,5-dimethyl-1-phenyl-1H-pyrazole
• Synonyms: 4-isocyanato-3,5-dimethyl-1-phenyl-1H-pyrazole; MFCD09055409
• Molecular Formula: C₁₂H₁₁N₃O
• Molecular Weight: 213.24
• CAS Registry Number: 637335-93-4
• SMILES: Cc2nn(c1ccccc1)c(C)c2/N=C=O
• InChI: 1S/C12H11N3O/c1-9-12(13-8-16)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,1-2H3
• InChIKey: FDFNCUNVKIOCAN-UHFFFAOYSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 334.098°C at 760 mmHg (Cal.)
• Flash point: 155.857°C (Cal.)
• Refractive index: 1.602 (Cal.)