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Benzene,1,2-dichloro-3-methyl-4-(trifluoromethyl)- (115571-59-0)

Identification
Name:Benzene,1,2-dichloro-3-methyl-4-(trifluoromethyl)-
Synonyms:2,3-Dichloro-6-(trifluoromethyl)toluene;3,4-Dichloro-2-methylbenzotrifluoride;
CAS:115571-59-0
Molecular Formula: C8H5Cl2F3
Molecular Weight: 229.03
InChI: InChI=1/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3
Molecular Structure: (C8H5Cl2F3) 2,3-Dichloro-6-(trifluoromethyl)toluene;3,4-Dichloro-2-methylbenzotrifluoride;
Properties
Flash Point: 87.2°C
Boiling Point: 199.6°Cat760mmHg
Density:1.404g/cm3
Refractive index:1.474
Specification:

The cas register number of 2,3-Dichloro-6-(trifluoromethyl)toluene is 115571-59-0. It also can be called as 3,4-Dichloro-2-methylbenzotrifluoride and the Systematic name about this chemical is 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene.

Physical properties about 2,3-Dichloro-6-(trifluoromethyl)toluene are: (1)ACD/LogP: 4.58; (2)ACD/LogD (pH 5.5): 4.58; (3)ACD/LogD (pH 7.4): 4.58; (4)ACD/BCF (pH 5.5): 1787.7; (5)ACD/BCF (pH 7.4): 1787.7; (6)ACD/KOC (pH 5.5): 7406.1; (7)ACD/KOC (pH 7.4): 7406.1; (8)Index of Refraction: 1.474; (9)Molar Refractivity: 45.84 cm3; (10)Molar Volume: 163.1 cm3; (11)Polarizability: 18.17x10-24cm3; (12)Surface Tension: 27.5 dyne/cm; (13)Enthalpy of Vaporization: 41.8 kJ/mol; (14)Vapour Pressure: 0.48 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(Cl)c1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3
(3)InChIKey: DKEPZNANVYCVOF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3
(5)Std. InChIKey: DKEPZNANVYCVOF-UHFFFAOYSA-N

Flash Point: 87.2°C
Safety Data