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478647-00-6

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Basic Information
CAS No.: 478647-00-6
Name: 3'-CHLORO-BIPHENYL-4-SULFONYL CHLORIDE
Molecular Structure:
Molecular Structure of 478647-00-6 (3'-CHLORO-BIPHENYL-4-SULFONYL CHLORIDE)
Formula: C12H8Cl2O2S
Molecular Weight: 287.16
Synonyms: 3'-Chloro[1,1'-biphenyl]-4-sulfonylchloride;3'-Chloro-biphenyl-4-sulfonyl chloride;
Density: 1.412 g/cm3
Boiling Point: 404.135 °C at 760 mmHg
Flash Point: 198.214 °C
PSA: 42.52000
LogP: 5.01530
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Specification

The CAS register number of [1,1'-Biphenyl]-4-sulfonylchloride, 3'-chloro- is 478647-00-6. It also can be called as 3'-Chloro[1,1'-biphenyl]-4-sulfonylchloride and the systematic name about this chemical is 3'-chlorobiphenyl-4-sulfonyl chloride. The molecular formula about this chemical is C12H8Cl2O2S and the molecular weight is 287.16.

Physical properties about [1,1'-Biphenyl]-4-sulfonylchloride, 3'-chloro- are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 2452; (5)ACD/BCF (pH 7.4): 2452; (6)ACD/KOC (pH 5.5): 9286; (7)ACD/KOC (pH 7.4): 9286; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 69.934 cm3; (13)Molar Volume: 203.324 cm3; (14)Polarizability: 27.724x10-24cm3; (15)Surface Tension: 46.65 dyne/cm; (16)Density: 1.412 g/cm3; (17)Flash Point: 198.214 °C; (18)Enthalpy of Vaporization: 63.001 kJ/mol; (19)Boiling Point: 404.135 °C at 760 mmHg. 

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)c2ccc(cc2)S(Cl)(=O)=O
(2)InChI: InChI=1/C12H8Cl2O2S/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(14,15)16/h1-8H
(3)InChIKey: FVELIXWAKJVRDG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H8Cl2O2S/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(14,15)16/h1-8H
(5)Std. InChIKey: FVELIXWAKJVRDG-UHFFFAOYSA-N