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3-Chlorobenzenesulfonamide

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Name

3-Chlorobenzenesulfonamide

EINECS 202-689-5
CAS No. 17260-71-8 Density 1.47 g/cm3
PSA 68.54000 LogP 2.76850
Solubility Slightly soluble in water. Melting Point 143-145°C
Formula C6H6ClNO2S Boiling Point 357.9 °C at 760 mmHg
Molecular Weight 191.638 Flash Point 170.3 °C
Transport Information N/A Appearance solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 17260-71-8 (3-CHLOROBENZENESULFONAMIDE) Hazard Symbols IrritantXi
Synonyms

Benzenesulfonamide,m-chloro- (8CI);3-Chlorobenzenesulfonamide;m-Chlorobenzenesulfonamide;

Article Data 14

3-Chlorobenzenesulfonamide Specification

The 3-Chlorobenzenesulfonamide with the CAS number 17260-71-8 is also called Benzenesulfonamide,3-chloro-. Its molecular formula is C6H6ClNO2S. The product category is sulfonamide. This chemical is irritant. While using this chemical, you should take the following instructions. Firstly you should not breathe dust. Then you should avoid this chemical contact with skin and eyes.

The properties of the chemical are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.63; (6)ACD/BCF (pH 7.4): 5.61; (7)ACD/KOC (pH 5.5): 119.88; (8)ACD/KOC (pH 7.4): 119.43; (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: 1.59; (14)Molar Refractivity: 44.01 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Enthalpy of Vaporization: 60.34 kJ/mol; (19)Vapour Pressure: 2.64c×10-5 mmHg at 25°C.

Uses: This chemical can react with 1-chloro-4-isocyanato-benzene to prepare C13H10Cl2N2O3S. This reaction needs reagent 1 N aq. NaOH and solvent acetone. The yield is 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Cl)ccc1)N
(2)InChI: InChI=1/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(3)InChIKey: WSYQJNPRQUFCGL-UHFFFAOYAN

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