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131138-21-1

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Basic Information
CAS No.: 131138-21-1
Name: 1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene
Molecular Structure:
Molecular Structure of 131138-21-1 (1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene)
Formula: C12H5Cl5O
Molecular Weight: 342.436
Synonyms: 2,2',4,5,5'-Pentachlorodiphenyl ether;
Density: 1.558 g/cm3
Boiling Point: 363.8 °C at 760 mmHg
Flash Point: 129.2 °C
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Specification

The Benzene,1,2,4-trichloro-5-(2,5-dichlorophenoxy)-, with the CAS registry number 131138-21-1, is also known as 2,2',4,5,5'-Pentachlorodiphenyl ether. This chemical's molecular formula is C12H5Cl5O and molecular weight is 342.43. What's more, its IUPAC name is 1,2,4-trichloro-5-(2,5-dichlorophenoxy)benzene.

Physical properties of Benzene,1,2,4-trichloro-5-(2,5-dichlorophenoxy)- are: (1)ACD/LogP: 6.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.74; (4)ACD/LogD (pH 7.4): 6.74; (5)ACD/BCF (pH 5.5): 78287.95; (6)ACD/BCF (pH 7.4): 78287.95; (7)ACD/KOC (pH 5.5): 110786.54; (8)ACD/KOC (pH 7.4): 110786.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 77.17 cm3; (15)Molar Volume: 219.7 cm3; (16)Polarizability: 30.59×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.558 g/cm3; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 58.59 kJ/mol; (21)Boiling Point: 363.8 °C at 760 mmHg; (22)Vapour Pressure: 3.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Oc1cc(Cl)ccc1Cl)c(Cl)cc2Cl
(2)Std. InChI: InChI=1S/C12H5Cl5O/c13-6-1-2-7(14)11(3-6)18-12-5-9(16)8(15)4-10(12)17/h1-5H
(3)Std. InChIKey: MKIAKZAWONVRFF-UHFFFAOYSA-N