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CAS No.: | 16803-92-2 |
---|---|
Name: | 4-AMINO-N-(4-CHLORO-PHENYL)-BENZENESULFONAMIDE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C12H11ClN2O2S |
Molecular Weight: | 282.751 |
Synonyms: | Sulfanilanilide,4'-chloro- (7CI,8CI);4-Amino-4'-chlorobenzenesulfonanilide;N-(4-Chlorophenyl)4-aminobenzenesulfonamide;ZXX 2-79; |
Density: | 1.466 g/cm3 |
Boiling Point: | 468.8 °C at 760 mmHg |
Flash Point: | 237.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 80.57000 |
LogP: | 4.45800 |
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The CAS registry number of Benzenesulfonamide,4-amino-N-(4-chlorophenyl)- is 16803-92-2. This chemical is also named as 4-Amino-4'-chlorobenzenesulfonanilide. In addition, its molecular formula is C12H11ClN2O2S and molecular weight is 282.75. Its systematic name and IUPAC name are the same which is called 4-amino-N-(4-chlorophenyl)benzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonamide,4-amino-N-(4-chlorophenyl)- are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.674; (7)Molar Refractivity: 72.37 cm3; (8)Molar Volume: 192.7 cm3; (9)Surface Tension: 66.4 dyne/cm; (10)Density: 1.466 g/cm3; (11)Flash Point: 237.3 °C; (12)Enthalpy of Vaporization: 73.11 kJ/mol; (13)Boiling Point: 468.8 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(NS(=O)(=O)c1ccc(N)cc1)cc2
(2)InChI: InChI=1/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2
(3)InChIKey: RBJGYDGKXTYSSL-UHFFFAOYAY