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115571-58-9

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Basic Information
CAS No.: 115571-58-9
Name: 2,3-Dichloro-4-(trifluoromethyl)toluene
Molecular Structure:
Molecular Structure of 115571-58-9 (2,3-Dichloro-4-(trifluoromethyl)toluene)
Formula: C8H5Cl2F3
Molecular Weight: 229.03
Synonyms: 2,3-Dichloro-4-(trifluoromethyl)toluene;
Density: 1.404 g/cm3
Boiling Point: 211.2 °C at 760 mmHg
Flash Point: 93.7 °C
PSA: 0.00000
LogP: 4.32060
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Specification

The 2,3-Dichloro-4-(trifluoromethyl)toluene is an organic compound with the formula C8H5Cl2F3. The systematic name of this chemical is 2,3-dichloro-1-methyl-4-(trifluoromethyl)benzene. With the CAS registry number 115571-58-9, it is also named as Benzene, 2,3-dichloro-1-methyl-4-(trifluoromethyl)-.

Physical properties about 2,3-Dichloro-4-(trifluoromethyl)toluene are: (1)ACD/LogP: 4.65; (2)ACD/LogD (pH 5.5): 4.65; (3)ACD/LogD (pH 7.4): 4.65; (4)ACD/BCF (pH 5.5): 2011.93; (5)ACD/BCF (pH 7.4): 2011.93; (6)ACD/KOC (pH 5.5): 8059.78; (7)ACD/KOC (pH 7.4): 8059.78; (8)Index of Refraction: 1.474; (9)Molar Refractivity: 45.84 cm3; (10)Molar Volume: 163.1 cm3; (11)Polarizability: 18.17×10-24cm3; (12)Surface Tension: 27.5 dyne/cm; (13)Density: 1.404 g/cm3; (14)Flash Point: 93.7 °C; (15)Enthalpy of Vaporization: 42.93 kJ/mol; (16)Boiling Point: 211.2 °C at 760 mmHg; (17)Vapour Pressure: 0.268 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(Cl)c1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H5Cl2F3/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3
(3)InChIKey: NSMXZYCKOJMQON-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H5Cl2F3/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3
(5)Std. InChIKey: NSMXZYCKOJMQON-UHFFFAOYSA-N