Phenyl 2,4-Diisocyanato-5-Methylbenzenesulphonate
[CAS# 93805-47-1]

Identification

• Name: Phenyl 2,4-Diisocyanato-5-Methylbenzenesulphonate
• Synonyms: Phenyl 2,4-Diisocyanato-5-Methyl-Benzenesulfonate; 2,4-Diisocyanato-5-Methylbenzenesulfonic Acid Phenyl Ester; 2,4-Diisocyanato-5-Methyl-Benzenesulfonic Acid Phenyl Ester
• Molecular Formula: C₁₅H₁₀N₂O₅S
• Molecular Weight: 330.31
• CAS Registry Number: 93805-47-1
• EINECS: 298-530-2
• SMILES: O=C=NC2=C([S](OC1=CC=CC=C1)(=O)=O)C=C(C(=C2)N=C=O)C
• InChI: 1S/C15H10N2O5S/c1-11-7-15(14(17-10-19)8-13(11)16-9-18)23(20,21)22-12-5-3-2-4-6-12/h2-8H,1H3
• InChIKey: YOYNLXLKRDWFKJ-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 506.274°C at 760 mmHg (Cal.)
• Flash point: 259.985°C (Cal.)