1-[(2,4-diisocyanatophenyl)methyl]-3-isocyanato-2-methyl-benzene
[CAS# 94213-41-9]

Identification

• Name: 1-[(2,4-diisocyanatophenyl)methyl]-3-isocyanato-2-methyl-benzene
• Synonyms: 4-[(3-isocyanato-o-tolyl)methyl]-1,3-phenylene diisocyanate
• Molecular Formula: C₁₇H₁₁N₃O₃
• Molecular Weight: 305.29
• CAS Registry Number: 94213-41-9
• EINECS: 303-745-2
• SMILES: O=C=Nc2cccc(Cc1ccc(N=C=O)cc1N=C=O)c2C
• InChI: 1S/C17H11N3O3/c1-12-13(3-2-4-16(12)19-10-22)7-14-5-6-15(18-9-21)8-17(14)20-11-23/h2-6,8H,7H2,1H3
• InChIKey: TXWSTJWCMLPFOD-UHFFFAOYSA-N

Properties

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