• Name

  Benzenesulfonamide

• EINECS 202-637-1
• CAS No. 98-10-2
• Article Data283
• CAS DataBase
• Density 1.327 g/cm³
• Solubility 4.3 g/L (16 °C) in water
• Melting Point 149-152 °C(lit.)
• Formula C₆H₇NO₂S
• Boiling Point 315.5 °C at 760 mmHg
• Molecular Weight 157.193
• Flash Point 144.6 °C
• Transport Information
• Appearance white to off-white granular crystalline powder
• Safety 36
• Risk Codes 22
• Molecular Structure
• Hazard Symbols Xn
• Synonyms Benzenesulphonamide;M and B 7973;NSC 5341;NSC 85506;Phenylsulfonamide;
• PSA 68.54000
• LogP 2.11510

Benzenesulfonamide Consensus Reports

Benzenesulfonamide Specification

1. Introduction of Benzenesulfonamide
The Benzenesulfonamide, with the CAS registry number 98-10-2, is a kind of white to off-white granular crystalline powder, and the molecular formula of this chemical is C₆H₇NO₂S. In addition, it belongs to the following product categories: Pharmaceutical Intermediates; Sulfonamide; Benzene derivatives; Organics; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds.

2. Properties of Benzenesulfonamide
(1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 35.83; (8)ACD/KOC (pH 7.4): 35.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 39.19 cm³; (15)Molar Volume: 118.3 cm³; (16)Polarizability: 15.53×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.327 g/cm³; (19)Flash Point: 144.6 °C; (20)Enthalpy of Vaporization: 55.67 kJ/mol; (21)Boiling Point: 315.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000437 mmHg at 25°C.

3. Structure Descriptors of Benzenesulfonamide
(1)SMILES: O=S(=O)(N)c1ccccc1
(2)InChI: InChI=1/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
(3)InChIKey: KHBQMWCZKVMBLN-UHFFFAOYAA

4. Toxicity of Benzenesulfonamide

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	600mg/kg (600mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
mouse	LD50	intraperitoneal	1gm/kg (1000mg/kg)		Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.
mouse	LD50	oral	740mg/kg (740mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(12), Pg. 47, 1975.
rabbit	LD50	oral	600mg/kg (600mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
rat	LD50	oral	991mg/kg (991mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1073, 1986.

5. Safety Information of Benzenesulfonamide
Hazard Symbols:Xn
Risk Codes:
R22:Harmful if swallowed.
Safety Description:
S36:Wear suitable protective clothing.

6. Preparation of Benzenesulfonamide
Benzenesulfonamide can be prepared in an ammonification reaction from benzene sulfonyl chloride. And it is often used in organic synthesis and pharmaceuticals industry.

7. Other details of Benzenesulfonamide
You should be cautious while dealing with benzenesulfonamide. It is harmful if swallowed. Therefore, you had better wear suitable protective clothing.