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CAS No.: | 247564-62-1 |
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Name: | 2,4,6-TRIFLUOROBENZYL CHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
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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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