Diisocyanatomethyl-Benzene
[CAS# 1321-38-6]

Identification

• Name: Diisocyanatomethyl-Benzene
• Synonyms: 2,4-Diisocyanato-1-Methyl-Benzene; 2,4-/2,6-Toluene Diisocyanate Mixture; Brn 0744602
• Molecular Formula: C₉H₆N₂O₂
• Molecular Weight: 174.16
• CAS Registry Number: 1321-38-6 (26006-20-2)
• SMILES: O=C=NC1=C(C=CC(=C1)N=C=O)C
• InChI: 1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
• InChIKey: DVKJHBMWWAPEIU-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 19-22°C (Expl.)
• Boiling point: 251.1111°C (Expl.)
• Flash point: 110.5±30.7°C (Cal.)
• solubility: Insoluble

Safety Data

• Safety Code: S23;S36/37;S45;S61
• Risk Code: R26;R36/37/38;R40;R42/43;R52/53
• Hazard Symbol: T
• Transport Information: UN2078
• Safety Description: Safety glasses, gloves. Good ventilation is essential when using thismaterial - do not breathe vapour and do not use it in the open laboratory.

References

• (1): Ning Ma, Ying Li, Huifeng Ren, Huaping Xu, Zhibo Li and Xi Zhang. Selenium-containing block copolymers and their oxidation-responsive aggregates, Polym. Chem., 2010, 1, 1609.