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23038-36-0

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Basic Information
CAS No.: 23038-36-0
Name: 1-Bromo-4-(phenylsulfonyl)benzene
Article Data: 63
Molecular Structure:
Molecular Structure of 23038-36-0 (1-Bromo-4-(phenylsulfonyl)benzene)
Formula: C12H9BrO2S
Molecular Weight: 297.172
Synonyms: Sulfone,p-bromophenyl phenyl (8CI);1-Bromo-4-(phenylsulfonyl)benzene;4-(Phenylsulfonyl)bromobenzene;4-Bromophenyl phenyl sulfone;NSC 220105;p-Bromophenyl phenyl sulfone;
EINECS: 245-392-6
Density: 1.531 g/cm3
Melting Point: 108-108.5 °C
Boiling Point: 418.5 °C at 760 mmHg
Flash Point: 206.9 °C
Appearance: Off white or white powder
PSA: 42.52000
LogP: 4.36270
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Specification

The cas register number of 1-Bromo-4-(phenylsulfonyl)benzene is 23038-36-0. It also can be called as 4-(Phenylsulfonyl)bromobenzene and the Systematic name about this chemical is 1-(benzenesulfonyl)-4-bromobenzene.

Physical properties about 1-Bromo-4-(phenylsulfonyl)benzenee are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 310.7; (6)ACD/BCF (pH 7.4): 310.7; (7)ACD/KOC (pH 5.5): 2116.52; (8)ACD/KOC (pH 7.4): 2116.52; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 68 cm3; (15)Molar Volume: 193.9 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.531 g/cm3; (18)Flash Point: 206.9 °C; (19)Enthalpy of Vaporization: 64.6 kJ/mol; (20)Boiling Point: 418.5 °C at 760 mmHg; (21)Vapour Pressure: 7.92E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=S(=O)(c1ccc(Br)cc1)c2ccccc2
2.InChI: InChI=1/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H 
3.InChIKey: WUQDRRXKNVIWIR-UHFFFAOYAM
4.Std. InChI: InChI=1S/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H