4-Benzylbenzenesulfonamide supplier

Name
4-BENZYLBENZENESULFONAMIDE
EINECS
CAS No. 1145-60-4
Article Data1
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₂S
Boiling Point 422.879 °C at 760 mmHg
Molecular Weight 247.31
Flash Point 209.55 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfonamide,a-phenyl- (6CI,7CI,8CI);4-Benzylbenzenesulfonamide;
PSA 68.54000
LogP 3.70590

4-Benzylbenzenesulfonamide Specification

The 4-Benzylbenzenesulfonamide with the CAS number 1145-60-4 is also called Benzenesulfonamide,4-(phenylmethyl)-. Its molecular formula is C₁₃H₁₃NO₂S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.82; (6)ACD/BCF (pH 7.4): 33.76; (7)ACD/KOC (pH 5.5): 432.68; (8)ACD/KOC (pH 7.4): 431.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.54 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 68.52 cm³; (15)Molar Volume: 197.7 cm³; (16)Polarizability: 27.16×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Enthalpy of Vaporization: 67.71 kJ/mol; (19)Vapour Pressure: 2.33×10^-7mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NS(=O)(=O)c2ccc(Cc1ccccc1)cc2
(2)InChI: InChI=1/C13H13NO2S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16)
(3)InChIKey: XIXRYMWTIKMPJU-UHFFFAOYAN

Product Name

4-BENZYLBENZENESULFONAMIDE

4-Benzylbenzenesulfonamide Specification

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