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599-87-1

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Basic Information
CAS No.: 599-87-1
Name: 4-CHLORO-N-(4-CHLOROPHENYL)BENZENESULFONAMIDE
Article Data: 12
Molecular Structure:
Molecular Structure of 599-87-1 (4-CHLORO-N-(4-CHLOROPHENYL)BENZENESULFONAMIDE)
Formula: C12H9Cl2NO2S
Molecular Weight: 302.181
Synonyms: Benzenesulfonanilide, 4,4'-dichloro- (6CI,7CI,8CI);4,4'-Dichlorobenzenesulfonanilide;4-Chlorobenzenesulfonamido-N-(4-chlorobenzene);N-(4-Chlorophenyl)-4-chlorobenzenesulfonamide;NSC 12970;
Density: 1.492 g/cm3
Melting Point: 145.4-146 °C
Boiling Point: 430.3 °C at 760 mmHg
Flash Point: 214 °C
PSA: 54.55000
LogP: 4.94800
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Specification

The CAS registry number of Benzenesulfonamide, 4-chloro-N-(4-chlorophenyl)- is 599-87-1. This chemical is also named as 4-Chlorobenzenesulfonamido-N-(4-chlorobenzene). In addition, its molecular formula is C12H9Cl2NO2S and molecular weight is 302.18. Its systematic name is called 4-chloro-N-(4-chlorophenyl)benzenesulfonamide.

Physical properties about Benzenesulfonamide, 4-chloro-N-(4-chlorophenyl)- are: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.647; (7)Molar Refractivity: 73.58 cm3; (8)Molar Volume: 202.4 cm3; (9)Surface Tension: 58.3 dyne/cm; (10)Density: 1.492 g/cm3; (11)Flash Point: 214 °C; (12)Enthalpy of Vaporization: 68.57 kJ/mol; (13)Boiling Point: 430.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Cl)cc1)Nc2ccc(Cl)cc2
(2)InChI: InChI=1/C12H9Cl2NO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H
(3)InChIKey: CALNUDRLRJURKB-UHFFFAOYAS