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Benzenesulfonamide,4-amino-N-phenyl- (127-77-5)

Identification
Name:Benzenesulfonamide,4-amino-N-phenyl-
Synonyms:Sulfanilanilide(6CI,7CI,8CI);4-(Phenylsulfamoyl)benzenamine;4-Amino-N-phenylbenzenesulfonamide;4-Aminobenzenesulfonanilide;N-Phenyl4-aminobenzenesulfonamide;N1-Phenylsulfanilamide;NSC 2619;Sulfa Vet;Sulfabenz;p-Amino-N-phenylbenzenesulfonamide;p-Aminobenzenesulfonanilide;
CAS:127-77-5
EINECS: 204-865-7
Molecular Formula: C12H12N2O2S
Molecular Weight: 248.30
InChI: InChI=1/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Molecular Structure: (C12H12N2O2S) Sulfanilanilide(6CI,7CI,8CI);4-(Phenylsulfamoyl)benzenamine;4-Amino-N-phenylbenzenesulfonamide;4-Ami...
Properties
Flash Point: 223°C
Boiling Point: 445.1°Cat760mmHg
Density:1.373g/cm3
Refractive index:1.669
Specification:

The CAS register number of Sulfabenz is 127-77-5. It also can be called as 4-Amino-N-phenylbenzenesulfonamide and the IUPAC name about this chemical is 4-amino-N-phenylbenzenesulfonamide. Classification Code about this chemical are Antibacterial and Coccidiostat [for poultry].

Physical properties about Sulfabenz are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.55; (4)ACD/BCF (pH 5.5): 8.95; (5)ACD/BCF (pH 7.4): 8.81; (6)ACD/KOC (pH 5.5): 167; (7)ACD/KOC (pH 7.4): 164.49; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49Å2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 67.54 cm3; (14)Molar Volume: 180.8 cm3; (15)Polarizability: 26.77x10-24cm3; (16)Surface Tension: 64.9 dyne/cm; (17)Enthalpy of Vaporization: 70.31 kJ/mol; (18)Vapour Pressure: 4.05E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccccc1)c2ccc(N)cc2
(2)InChI: InChI=1/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
(3)InChIKey: YBUXKQSCKVQATK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
(5)Std. InChIKey: YBUXKQSCKVQATK-UHFFFAOYSA-N

Flash Point: 223°C
Safety Data
 

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