4-[(2,4-diisocyanatophenyl)methyl]-2-isocyanato-1-methyl-benzene
[CAS# 94213-40-8]

Identification

• Name: 4-[(2,4-diisocyanatophenyl)methyl]-2-isocyanato-1-methyl-benzene
• Synonyms: 4-[(3-isocyanato-4-methylphenyl)methyl]-m-phenylene diisocyanate
• Molecular Formula: C₁₇H₁₁N₃O₃
• Molecular Weight: 305.29
• CAS Registry Number: 94213-40-8
• EINECS: 303-744-7
• SMILES: O=C=Nc2cc(ccc2Cc1ccc(C)c(N=C=O)c1)N=C=O
• InChI: 1S/C17H11N3O3/c1-12-2-3-13(7-16(12)19-10-22)6-14-4-5-15(18-9-21)8-17(14)20-11-23/h2-5,7-8H,6H2,1H3
• InChIKey: RFDDEHIGNVULBM-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 455.206°C at 760 mmHg (Cal.)
• Flash point: 187.684°C (Cal.)