Benzenesulfonamide, N-(4-bromophenyl)-4-methyl- supplier

Name
N-(4-bromophenyl)-4-methylbenzenesulfonamide
EINECS
CAS No. 32857-48-0
Article Data51
CAS DataBase
Density 1.545 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂BrNO₂S
Boiling Point 431.5 °C at 760 mmHg
Molecular Weight 326.214
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(4-Bromophenyl)-4-methyl-benzenesulfonamide;(4-Bromophenyl)[(4-methylphenyl)sulfonyl]amine;N-(4-Bromo-phenyl)-4-methyl-benzenesulfonamide;
PSA 54.55000
LogP 4.71210

Benzenesulfonamide, N-(4-bromophenyl)-4-methyl- Specification

The Benzenesulfonamide, N-(4-bromophenyl)-4-methyl-, with the CAS registry number 32857-48-0, is also known as (4-Bromophenyl)[(4-methylphenyl)sulfonyl]amine. This chemical's molecular formula is C₁₃H₁₂BrNO₂S and molecular weight is 326.21. What's more, its systematic name is N-(4-bromophenyl)-4-methylbenzenesulfonamide.

Physical properties of Benzenesulfonamide, N-(4-bromophenyl)-4-methyl- are: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.55; (5)ACD/BCF (pH 5.5): 1828.1; (6)ACD/BCF (pH 7.4): 1647.07; (7)ACD/KOC (pH 5.5): 7522.52; (8)ACD/KOC (pH 7.4): 6777.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 76.27 cm³; (15)Molar Volume: 211 cm³; (16)Polarizability: 30.23×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.545 g/cm³; (19)Flash Point: 214.8 °C; (20)Enthalpy of Vaporization: 68.71 kJ/mol; (21)Boiling Point: 431.5 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br
(2)InChI: InChI=1S/C13H12BrNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
(3)InChIKey: RIBFVUXANOZLHJ-UHFFFAOYSA-N

Product Name

N-(4-bromophenyl)-4-methylbenzenesulfonamide

Benzenesulfonamide, N-(4-bromophenyl)-4-methyl- Specification

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