CAS No.13014-24-9,3,4-Dichlorobenzotrichloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13014-24-9
Name:	3,4-Dichlorobenzotrichloride
Article Data:	9

Formula:	C₇H₃Cl₅
Molecular Weight:	264.366
Synonyms:	Toluene, a,a,a,3,4-pentachloro- (6CI,7CI,8CI);3,4-Dichlorophenyltrichloromethane;3,4-Dichlorotrichloromethylbenzene;3,4-a,a,a-Pentachlorotoluene;NSC 163901;a,a,a,3,4-Pentachlorotoluene;
EINECS:	235-869-7
Density:	1.606 g/cm³
Melting Point:	25.8oC
Boiling Point:	283.099 °C at 760 mmHg
Flash Point:	123.486 °C
Appearance:	Slightly opaque pale yellow liquid
PSA:	0.00000
LogP:	4.82010

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Specification

The Benzene,1,2-dichloro-4-(trichloromethyl)-, with CAS registry number 13014-24-9, has the systematic name of 1,2-dichloro-4-(trichloromethyl)benzene. Besides this, it is also called benzene, 1,2-dichloro-4-(trichloromethyl)-. And its classification code is Mutation data. What's more, its EINECS is 235-869-7.

Physical properties of Benzene,1,2-dichloro-4-(trichloromethyl)-: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1319.14; (6)ACD/BCF (pH 7.4): 1319.14; (7)ACD/KOC (pH 5.5): 5958.03; (8)ACD/KOC (pH 7.4): 5958.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 55.07 cm³; (15)Molar Volume: 164.6 cm³; (16)Polarizability: 21.83×10^-24cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Enthalpy of Vaporization: 50.1 kJ/mol; (19)Vapour Pressure: 0.00552 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C(Cl)(Cl)Cl
(2)InChI: InChI=1/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
(3)InChIKey: ATYLRBXENHNROH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
(5)Std. InChIKey: ATYLRBXENHNROH-UHFFFAOYSA-N