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55720-44-0

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Basic Information
CAS No.: 55720-44-0
Name: 2,3,5-TRICHLOROBIPHENYL
Article Data: 8
Molecular Structure:
Molecular Structure of 55720-44-0 (2,3,5-TRICHLOROBIPHENYL)
Formula: C12H7Cl3
Molecular Weight: 257.547
Synonyms: 2,3,5-Trichloro-1,1'-biphenyl;Biphenyl, 2,3,5-trichloro-;PCB 23;
Density: 1.351 g/cm3
Melting Point: 41°C
Boiling Point: 334.8 °C at 760 mmHg
Flash Point: 230 °C
PSA: 0.00000
LogP: 5.31380
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Specification

The CAS registry number of 1,1'-Biphenyl,2,3,5-trichloro- is 55720-44-0. In addition, the molecular formula is C12H7Cl3 and the molecular weight is 257.54. Its IUPAC name is 1,2,5-trichloro-3-phenylbenzene. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7486.84; (6)ACD/BCF (pH 7.4): 7486.84; (7)ACD/KOC (pH 5.5): 20644.94; (8)ACD/KOC (pH 7.4): 20644.94; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.603; (11)Molar Refractivity: 65.52 cm3; (12)Molar Volume: 190.5 cm3; (13)Polarizability: 25.97 ×10-24cm3; (14)Surface Tension: 43 dyne/cm; (15)Density: 1.351 g/cm3; (16)Flash Point: 230 °C; (17)Enthalpy of Vaporization: 55.49 kJ/mol; (18)Boiling Point: 334.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000243 mmHg at 25°C.

Preparation of 1,1'-Biphenyl,2,3,5-trichloro-: it can be prepared by 2,3,4,5-tetrachloro-biphenyl. The other products are 3,4,5-Trichlorbiphenyl, 2,3',4',5'-tetrachlorobiphenyl, 3,4-dichloro-biphenyl. This reaction will need reagent Brij 58 and solvent H2O. The reaction time is 30 seconds. The yield is about 46%.

1,1'-Biphenyl,2,3,5-trichloro- can be prepared by 2,3,4,5-tetrachloro-biphenyl. The other products are 3,4,5-Trichlorbiphenyl, 2,3',4',5'-tetrachlorobiphenyl, 3,4-dichloro-biphenyl.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(c1ccccc1)cc(Cl)cc2Cl
(2)Std. InChI: InChI=1S/C12H7Cl3/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7H
(3)Std. InChIKey: GBUCDGDROYMOAN-UHFFFAOYSA-N