1,3-Diisocyanato-2-Methylbenzene - 2,4-Diisocyanato-1-Methylbenzene (1:1)
[CAS# 31370-61-3]

Identification

• Name: 1,3-Diisocyanato-2-Methylbenzene - 2,4-Diisocyanato-1-Methylbenzene (1:1)
• Synonyms: 2,4 + 2,6-Toluenediisocyanate; 2,4-/2,6-Toluene diisocyanate mixture
• Molecular Formula: C₁₈H₁₂N₄O₄
• Molecular Weight: 348.31
• CAS Registry Number: 31370-61-3
• SMILES: O=C=N\c1ccc(c(\N=C=O)c1)C.O=C=N/c1cccc(\N=C=O)c1C
• InChI: 1S/2C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2*2-4H,1H3
• InChIKey: LNKSOGFDOODVSP-UHFFFAOYSA-N

Properties

• Boiling point: 248.4°C at 760 mmHg (Cal.)
• Flash point: 110.5°C (Cal.)