51908-29-3

Basic information

• Product Name: 4-Isothiocyanatobenzene-1-sulfonamide
• Synonyms: 4-ISOTHIOCYANATOBENZENESULFONAMIDE;4-Isothiocyanatobenzene-1-sulfonamide;4-Isothiocyanatobenzenesulfonamide ,98%;4-Icsa;Benzenesulfonamide, 4-isothiocyanato-;4-Isothiocyanatobenzenesulphonamide;4-Isothiocyatobenzenesulfomide
• CAS NO: 51908-29-3
• Molecular Formula: C₇H₆N₂O₂S₂
• Molecular Weight: 214.26
• Mol File: 51908-29-3.mol

Chemical Properties

• Melting Point: 210 °C
• Boiling Point: 418.2 °C at 760 mmHg
• Flash Point: 206.7 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 3.35E-07mmHg at 25°C
• Refractive Index: 1.659
• PKA: 9.79±0.10(Predicted)
• CAS DataBase Reference: 4-Isothiocyanatobenzene-1-sulfonamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Isothiocyanatobenzene-1-sulfonamide(51908-29-3)
• EPA Substance Registry System: 4-Isothiocyanatobenzene-1-sulfonamide(51908-29-3)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2811
• HazardClass: IRRITANT
• Hazardous Substances Data: 51908-29-3(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 68, p. 2506, 1946 DOI: 10.1021/ja01216a022

InChI:InChI=1/C7H6N2O2S2/c8-13(10,11)7-3-1-6(2-4-7)9-5-12/h1-4H,(H2,8,10,11)

Upstream product

• 463-71-8 thiophosgene 
• 63-74-1 sulfanilamide 
• 6101-31-1 sulfanilamide hydrochloride 
• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 57381-11-0 triethylamine thiocarbamate 

Downstream Products

• 588-87-4 4-(3-(4-fluorophenyl)thioureido)benzenesulfonamide 
• 128944-80-9 4-{3-(4-Methoxy-phenyl)-4,5-bis-[(Z)-4-methoxy-phenylimino]-2-thioxo-imidazolidin-1-yl}-benzenesulfonamide 
• 78157-92-3 4,5-Dioxo-1-(4-sulfamoyl-phenyl)-2-thioxo-pyrrolidine-3-carboxylic acid amide 
• 92376-20-0 N-(4-sulfamoyl-phenyl)-N'-p-tolyl-thiourea 
• 92164-73-3 4-[2-thioxo-1,2,3,4-tetrahydroquinazolin-4-on-3-yl]benzenesulfonamide 

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