4-Isothiocyanato-N,N-Dimethyl-2,1,3-Benzoxadiazole-7-Sulfonamide
[CAS# 147611-81-2]

Identification

• Classification: Analytical chemistry >> Liquid chromatography >> HPLC labeling reagent
• Name: 4-Isothiocyanato-N,N-Dimethyl-2,1,3-Benzoxadiazole-7-Sulfonamide
• Synonyms: 7-Isothiocyanato-N,N-Dimethyl-Benzofurazan-4-Sulfonamide; 4-Benzofurazansulfonamide, 7-Isothiocyanato-N,N-Dimethyl-; 7-N,N-Dimethylaminosulfonyl-4-(2,1,3-Benzoxadiazolyl)Isothiocyanate
• Molecular Formula: C₉H₈N₄O₃S₂
• Molecular Weight: 284.31
• CAS Registry Number: 147611-81-2
• SMILES: S=C=NC1=CC=C([S](=O)(=O)N(C)C)C2=NON=C12
• InChI: 1S/C9H8N4O3S2/c1-13(2)18(14,15)7-4-3-6(10-5-17)8-9(7)12-16-11-8/h3-4H,1-2H3
• InChIKey: SUOZAUUDBKHLHQ-UHFFFAOYSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Melting point: 126°C (Expl.)
• Boiling point: 458.063°C at 760 mmHg (Cal.)
• Flash point: 230.829°C (Cal.)