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93281-65-3

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Basic Information
CAS No.: 93281-65-3
Name: 4-BROMO-N-TERT-BUTYL-BENZENESULFONAMIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 93281-65-3 (4-BROMO-N-TERT-BUTYL-BENZENESULFONAMIDE)
Formula: C10H14BrNO2S
Molecular Weight: 292.197
Synonyms: Benzenesulfonamide,p-bromo-N-tert-butyl- (7CI);4-Bromo-N-tert-butylbenzenesulfonamide;N-tert-Butyl-4-bromobenzenesulfonamide;
Density: 1.419 g/cm3
Melting Point: 96-98 °C
Boiling Point: 355.4 °C at 760 mmHg
Flash Point: 168.7 °C
Hazard Symbols: IrritantXi
PSA: 54.55000
LogP: 3.99760
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Specification

The Benzenesulfonamide,4-bromo-N-(1,1-dimethylethyl)-, with the CAS registry number 93281-65-3, has the systematic name and IUPAC name of 4-bromo-N-tert-butylbenzenesulfonamide. It belongs to the following product categories: Blocks; Bromides; Sulfonamides; Aromatic Building Blocks. And the molecular formula of the chemical is C10H14BrNO2S.

The characteristics of Benzenesulfonamide,4-bromo-N-(1,1-dimethylethyl)- are as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 65.46 cm3; (9)Molar Volume: 205.7 cm3; (10)Polarizability: 25.95×10-24cm3; (11)Surface Tension: 40.5 dyne/cm; (12)Density: 1.419 g/cm3; (13)Flash Point: 168.7 °C; (14)Enthalpy of Vaporization: 60.06 kJ/mol; (15)Boiling Point: 355.4 °C at 760 mmHg; (16)Vapour Pressure: 3.13E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Br)cc1)NC(C)(C)C
(2)InChI: InChI=1/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,1-3H3
(3)InChIKey: NHMNSUKZJWPIQA-UHFFFAOYAL