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29092-34-0

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Basic Information
CAS No.: 29092-34-0
Name: 3-amino-4-chlorobenzenesulphonamide
Molecular Structure:
Molecular Structure of 29092-34-0 (3-amino-4-chlorobenzenesulphonamide)
Formula: C6H7ClN2O2S
Molecular Weight: 206.653
Synonyms: Metanilamide,4-chloro- (6CI,8CI);3-Amino-4-chlorobenzenesulfonamide;4-Chlorometanilamide;NSC 36944;
EINECS: 249-423-4
Density: 1.558 g/cm3
Boiling Point: 416.5 °C at 760 mmHg
Flash Point: 205.7 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 94.56000
LogP: 2.93190
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Specification

The CAS registry number of Benzenesulfonamide,3-amino-4-chloro- is 29092-34-0. This chemical is also named as NSC3694. The EINECS registry number of it is 249-423-4. In addition, its molecular formula is C6H7ClN2O2S and molecular weight is 206.64998. Its systematic name and IUPAC name are the same which is called 3-amino-4-chlorobenzenesulfonamide.

Physical properties about Benzenesulfonamide,3-amino-4-chloro- are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.22; (8)ACD/KOC (pH 7.4): 16.19; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 47.63 cm3; (14)Molar Volume: 132.6 cm3; (15)Surface Tension: 66 dyne/cm; (16)Density: 1.558 g/cm3; (17)Flash Point: 205.7 °C; (18)Enthalpy of Vaporization: 66.97 kJ/mol; (19)Boiling Point: 416.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1N)S(=O)(=O)N
(2)InChI: InChI=1/C6H7ClN2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
(3)InChIKey: OIWCPLBCWJUCMR-UHFFFAOYAY