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247564-62-1

Basic Information
CAS No.: 247564-62-1
Name: 2,4,6-TRIFLUOROBENZYL CHLORIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 247564-62-1 (2,4,6-TRIFLUOROBENZYL CHLORIDE)
Formula: C7H4ClF3
Molecular Weight: 180.557
Synonyms: 2,4,6-Trifluorobenzylchloride;NSC 10306;
Density: 1.391 g/cm3
Boiling Point: 162.9 °C at 760 mmHg
Flash Point: 57 °C
PSA: 0.00000
LogP: 2.84270
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Specification

The Benzene, 2-(chloromethyl)-1, 3, 5-trifluoro-, with the CAS registry number 247564-62-1, is also known as 2, 4, 6-Trifluorobenzyl chloride. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C7H4ClF3 and molecular weight is 180.5549. What's more, its IUPAC name is 2-(Chloromethyl)-1, 3, 5-trifluorobenzene.

Physical properties about Benzene, 2-(chloromethyl)-1, 3, 5-trifluoro- are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.466; (8)Molar Refractivity: 35.99 cm3; (9)Molar Volume: 129.7 cm3; (10)Polarizability: 14.27×10-24 cm3; (11)Surface Tension: 30 dyne/cm; (12)Density: 1.391 g/cm3; (13)Flash Point: 57 °C; (14)Enthalpy of Vaporization: 38.31 kJ/mol; (15)Boiling Point: 162.9 °C at 760 mmHg; (16)Vapour Pressure: 2.76 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1c(F)cc(F)cc1F
(2) InChI: InChI=1/C7H4ClF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
(3) InChIKey: FRFNHABGFLDQOU-UHFFFAOYAO