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248262-29-5

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Basic Information
CAS No.: 248262-29-5
Name: 2-Trifluoromethyl-4-fluorobenzyl chloride
Molecular Structure:
Molecular Structure of 248262-29-5 (2-Trifluoromethyl-4-fluorobenzyl chloride)
Formula: C8H5ClF4
Molecular Weight: 212.5719
Synonyms: 4-Fluoro-2-trifluoromethylbenzylchloride;
Density: 1.372 g/cm3
Boiling Point: 176.2 °C at 760 mmHg
Flash Point: 70 °C
PSA: 0.00000
LogP: 3.58330
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Specification

The Benzene,1-(chloromethyl)-4-fluoro-2-(trifluoromethyl)-, with the CAS registry number 248262-29-5, is also known as 2-Trifluoromethyl-4-fluorobenzyl chloride. This chemical's molecular formula is C8H5ClF4 and molecular weight is 212.5719. Its IUPAC name is called 1-(chloromethyl)-4-fluoro-2-(trifluoromethyl)benzene.

Physical properties of Benzene,1-(chloromethyl)-4-fluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 2.95; (3)ACD/LogD (pH 7.4): 2.95; (4)ACD/BCF (pH 5.5): 103; (5)ACD/BCF (pH 7.4): 103; (6)ACD/KOC (pH 5.5): 960.28; (7)ACD/KOC (pH 7.4): 960.28; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.442; (10)Molar Refractivity: 40.99 cm3; (11)Molar Volume: 154.8 cm3; (12)Surface Tension: 25.1 dyne/cm; (13)Density: 1.372 g/cm3; (14)Flash Point: 70 °C; (15)Enthalpy of Vaporization: 39.56 kJ/mol; (16)Boiling Point: 176.2 °C at 760 mmHg; (17)Vapour Pressure: 1.49 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1c(cc(F)cc1)C(F)(F)F
(2)InChI: InChI=1/C8H5ClF4/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
(3)InChIKey: FZTZSNPJDFLZOZ-UHFFFAOYAT