3-Isocyanatobenzenesulphonyl Fluoride
[CAS# 402-36-8]

Identification

• Name: 3-Isocyanatobenzenesulphonyl Fluoride
• Synonyms: Benzenesulfonyl Fluoride, 3-Isocyanato- (9Ci); Isocyanic Acid, M-(Fluorosulfonyl)Phenyl Ester
• Molecular Formula: C₇H₄FNO₃S
• Molecular Weight: 201.17
• CAS Registry Number: 402-36-8
• EINECS: 206-941-5
• SMILES: O=C=NC1=CC(=CC=C1)[S](=O)(=O)F
• InChI: 1S/C7H4FNO3S/c8-13(11,12)7-3-1-2-6(4-7)9-5-10/h1-4H
• InChIKey: MXNBVYUXLFKJKX-UHFFFAOYSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 284.917°C at 760 mmHg (Cal.)
• Flash point: 126.114°C (Cal.)