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832113-94-7

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Basic Information
CAS No.: 832113-94-7
Name: 2-Trifluoromethyl-5-fluorobenzyl chloride
Molecular Structure:
Molecular Structure of 832113-94-7 (2-Trifluoromethyl-5-fluorobenzyl chloride)
Formula: C8H5ClF4
Molecular Weight: 212.57
Synonyms: 5-Fluoro-2-trifluoromethylbenzylchloride;
Density: 1.372 g/cm3
Boiling Point: 170.5 °C at 760 mmHg
Flash Point: 66.8 °C
PSA: 0.00000
LogP: 3.58330
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Specification

This chemical is called Benzene, 2-(chloromethyl)-4-fluoro-1-(trifluoromethyl)-, and it can also be named as 2-Trifluoromethyl-5-fluorobenzyl chloride. With the molecular formula of C8H5ClF4, its molecular weight is 212.57. The CAS registry number of this chemical is 832113-94-7.

Other characteristics of the Benzene, 2-(chloromethyl)-4-fluoro-1-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 165.96; (6)ACD/BCF (pH 7.4): 165.96; (7)ACD/KOC (pH 5.5): 1351.09; (8)ACD/KOC (pH 7.4): 1351.09; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 40.99 cm3; (15)Molar Volume: 154.8 cm3; (16)Polarizability: 16.25×10-24cm3; (17)Surface Tension: 25.1 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 66.8 °C; (20)Enthalpy of Vaporization: 39.02 kJ/mol; (21)Boiling Point: 170.5 °C at 760 mmHg; (22)Vapour Pressure: 1.94 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1c(cc(F)cc1)CCl
2.InChI: InChI=1/C8H5ClF4/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2
3.InChIKey: IGURRQIIIXYJND-UHFFFAOYAR