N-benzyl-4-bromo-benzenesulfonamide supplier

Name
N-BENZYL 4-BROMOBENZENESULFONAMIDE
EINECS
CAS No. 3609-87-8
Article Data19
CAS DataBase
Density 1.503 g/cm³
Solubility
Melting Point 102-104 °C
Formula C₁₃H₁₂BrNO₂S
Boiling Point 447.4 °C at 760 mmHg
Molecular Weight 326.214
Flash Point 224.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-Benzyl-4-bromobenzenesulphonamide;
PSA 54.55000
LogP 4.39930

N-benzyl-4-bromo-benzenesulfonamide Specification

The N-benzyl-4-bromo-benzenesulfonamide is an organic compound with the formula C₁₃H₁₂BrNO₂S. The IUPAC name of this chemical is N-benzyl-4-bromobenzenesulfonamide. With the CAS registry number 3609-87-8, it is also named as [(4-bromophenyl)sulfonyl]benzylamine. The product's categories are Blocks; Bromides; Sulfonamides.

Physical properties about N-benzyl-4-bromo-benzenesulfonamide are: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 3.78; (3)ACD/LogD (pH 7.4): 3.78; (4)ACD/BCF (pH 5.5): 441.35; (5)ACD/BCF (pH 7.4): 441.16; (6)ACD/KOC (pH 5.5): 2721.06; (7)ACD/KOC (pH 7.4): 2719.9; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 45.76 Å²; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 76.28 cm³; (14)Molar Volume: 216.9 cm³; (15)Polarizability: 30.24×10^-24cm³; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.503 g/cm³; (18)Flash Point: 224.4 °C; (19)Enthalpy of Vaporization: 70.57 kJ/mol; (20)Boiling Point: 447.4 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Br)cc1)NCc2ccccc2
(2)InChI: InChI=1/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
(3)InChIKey: KBFYMIDQZWIKJR-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
(5)Std. InChIKey: KBFYMIDQZWIKJR-UHFFFAOYSA-N

Product Name

N-BENZYL 4-BROMOBENZENESULFONAMIDE

N-benzyl-4-bromo-benzenesulfonamide Specification

Related Products

Hot Products