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111810-41-4

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Basic Information
CAS No.: 111810-41-4
Name: 4'-OH-3,3',4,5'-TetraCB
Molecular Structure:
Molecular Structure of 111810-41-4 (4'-OH-3,3',4,5'-TetraCB)
Formula: C12H6Cl4O
Molecular Weight: 307.991
Synonyms: 3,3',4',5-Tetrachloro-4-biphenylol;4-Hydroxy-3,3',4',5-tetrachlorobiphenyl;4-Hydroxy-3,5,3',4'-tetrachlorobiphenyl;4-OH-PCB 79;4'-Hydroxy-3,3',4,5'-tetrachlorobiphenyl;
Density: 1.532 g/cm3
Boiling Point: 385.1 °C at 760 mmHg
Flash Point: 186.7 °C
PSA: 20.23000
LogP: 5.67280
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  • [1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro-

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    [1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro-

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    Molecular Weight： 307.9874 Density：1.532 g/cm3 Boiling Point：385.1 Flash Point： 186.7

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Specification

This chemical is called [1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro-, and it can also be named as 4-Hydroxy-3,3',4',5-tetrachlorobiphenyl. The molecular formula of this chemical is C12H6Cl4O. The CAS registry number of this chemical is 111810-41-4. Additionally, its systematic name is 3,3',4',5-Tetrachlorobiphenyl-4-ol. 

Other characteristics of the [1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro- can be summarised as followings: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.22; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 5309.5; (6)ACD/BCF (pH 7.4): 510.39; (7)ACD/KOC (pH 5.5): 15563; (8)ACD/KOC (pH 7.4): 1496.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 72.3 cm3; (15)Molar Volume: 200.9 cm3; (16)Polarizability: 28.66×10-24 cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 186.7 °C; (20)Enthalpy of Vaporization: 65.87 kJ/mol; (21)Boiling Point: 385.1 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl
2.InChI: InChI=1/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H
3.InChIKey: RQGVZEFZWFEKQR-UHFFFAOYAI