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63697-18-7

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Basic Information
CAS No.: 63697-18-7
Name: 1,2,4-trichlorobenzene
Article Data: 139
Molecular Structure:
Molecular Structure of 63697-18-7 (1,2,4-trichlorobenzene)
Formula: C6H3Cl3
Molecular Weight: 181.449
Synonyms: 1,2,4-Trichlorobenzeneradical anion
Density: 1.448 g/cm3
Melting Point: 17ºC
Boiling Point: 211.4 °C at 760 mmHg
Flash Point: 126.7 °C
Solubility: Insoluble in water, slightly soluble in alcohol, soluble in ether, benzene and carbon bisulfide
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Specification

The Benzene, 1,2,4-trichloro- has CAS registry number 63697-18-7. Its EINECS number is 204-428-0. This chemical's molecular formula is C6H3Cl3 and molecular weight is 181.45. What's more, its systematic name is 1,2,4-trichlorobenzene.

Physical properties of Benzene, 1,2,4-trichloro- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 469.74; (6)ACD/BCF (pH 7.4): 469.74; (7)ACD/KOC (pH 5.5): 2845.25; (8)ACD/KOC (pH 7.4): 2845.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 40.93 cm3; (15)Molar Volume: 125.2 cm3; (16)Polarizability: 16.22×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 42.94 kJ/mol; (21)Boiling Point: 211.4 °C at 760 mmHg; (22)Vapour Pressure: 0.266 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)c(Cl)cc1
(2)Std. InChI: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
(3)Std. InChIKey: PBKONEOXTCPAFI-UHFFFAOYSA-N