3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride supplier

Name
3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride
EINECS
CAS No. 501697-80-9
Density 1.493 g/cm³
Solubility
Melting Point 105 °C
Formula C₁₂H₇Cl₃O₂S
Boiling Point 429.8 °C at 760 mmHg
Molecular Weight 321.61
Flash Point 213.7 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride (IM OCS);BUTTPARK 99\57-76;[4-(3,4-Dichlorophenyl)phenyl]sulfonyl chloride;[4-(3,4-Dichlorophenyl)phenyl]sulphonyl chloride;
PSA 42.52000
LogP 5.66870

3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride Specification

The CAS register number of 3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride is 501697-80-9. It also can be called as [4-(3,4-Dichlorophenyl)phenyl]sulphonyl chloride. The molecular formula about this chemical is C₁₂H₇Cl₃O₂S and the molecular weight is 321.61. It belongs to the following product categories which include Phenyls & Phenyl-Het; Sulphonyl Chlorides; Phenyls & Phenyl-Het; Sulphonyl Chlorides and so on.

Physical properties about 3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride are: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.21; (4)ACD/LogD (pH 7.4): 5.21; (5)ACD/BCF (pH 5.5): 5342.15; (6)ACD/BCF (pH 7.4): 5342.15; (7)ACD/KOC (pH 5.5): 16214.06; (8)ACD/KOC (pH 7.4): 16214.06; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 42.52 Å²; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 74.76 cm³; (14)Molar Volume: 215.2 cm³; (15)Polarizability: 29.63x10^-24cm³; (16)Surface Tension: 48.6 dyne/cm; (17)Density: 1.493 g/cm³; (18)Flash Point: 213.7 °C; (19)Enthalpy of Vaporization: 65.86 kJ/mol; (20)Boiling Point: 429.8 °C at 760 mmHg; (21)Vapour Pressure: 3.43E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1ccc(cc1)S(Cl)(=O)=O)cc2Cl
(2)InChI: InChI=1/C12H7Cl3O2S/c13-11-6-3-9(7-12(11)14)8-1-4-10(5-2-8)18(15,16)17/h1-7H
(3)InChIKey: DHVBZUPMGVOIOH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H7Cl3O2S/c13-11-6-3-9(7-12(11)14)8-1-4-10(5-2-8)18(15,16)17/h1-7H
(5)Std. InChIKey: DHVBZUPMGVOIOH-UHFFFAOYSA-N

Product Name

3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride

3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride Specification

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