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23815-28-3

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Basic Information
CAS No.: 23815-28-3
Name: 3,4-DICHLOROBENZENESULFONAMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 23815-28-3 (3,4-DICHLOROBENZENESULFONAMIDE)
Formula: C6H5Cl2NO2S
Molecular Weight: 226.083
Synonyms: 3,4-Dichlorobenzenesulfonamide;NSC 31188;
Density: 1.588 g/cm3
Melting Point: 137-139°C
Boiling Point: 383.4 °C at 760 mmHg
Flash Point: 185.7 °C
Solubility: 791.3mg/L(15 oC)
PSA: 68.54000
LogP: 3.42190
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Specification

The CAS registry number of Benzenesulfonamide,3,4-dichloro- is 23815-28-3. This chemical is also named as NSC 31188. In addition, its molecular formula is C6H5Cl2NO2S and molecular weight is 226.0804. Its systematic name and IUPAC name are the same which is called 3,4-dichlorobenzenesulfonamide.

Physical properties about Benzenesulfonamide,3,4-dichloro- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.14; (6)ACD/BCF (pH 7.4): 11.07; (7)ACD/KOC (pH 5.5): 195.36; (8)ACD/KOC (pH 7.4): 194.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 48.84 cm3; (14)Molar Volume: 142.2 cm3; (15)Surface Tension: 54.8 dyne/cm; (16)Density: 1.588 g/cm3; (17)Flash Point: 185.7 °C; (18)Enthalpy of Vaporization: 63.2 kJ/mol; (19)Boiling Point: 383.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)S(=O)(=O)N
(2)InChI: InChI=1/C6H5Cl2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
(3)InChIKey: ILLSOONBCBUBOD-UHFFFAOYAW