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60903-84-6

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Basic Information
CAS No.: 60903-84-6
Name: 2,3,5,6-Tetrafluoro-4-methylbenzylchloride
Molecular Structure:
Molecular Structure of 60903-84-6 (2,3,5,6-Tetrafluoro-4-methylbenzylchloride)
Formula: C8H5ClF4
Molecular Weight: 212.574
Synonyms: 1-(chloromethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
Density: 1.414 g/cm3
Boiling Point: 187 °C at 760 mmHg
Flash Point: 76.1 °C
PSA: 0.00000
LogP: 3.29020
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Specification

The Benzene,1-(chloromethyl)-2,3,5,6-tetrafluoro-4-methyl-, with CAS registry number 60903-84-6, has the systematic name of 1-(chloromethyl)-2,3,5,6-tetrafluoro-4-methylbenzene. Besides this, it is also called 2,3,5,6-Tetrafluoro-4-methylbenzylchloride. And the chemical formula of this chemical is C8H5ClF4.

Physical properties of Benzene,1-(chloromethyl)-2,3,5,6-tetrafluoro-4-methyl-: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 154.92; (6)ACD/BCF (pH 7.4): 154.92; (7)ACD/KOC (pH 5.5): 1286.12; (8)ACD/KOC (pH 7.4): 1286.12; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 40.81 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 16.18×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 1.414 g/cm3; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 40.58 kJ/mol; (21)Boiling Point: 187 °C at 760 mmHg; (22)Vapour Pressure: 0.888 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(F)c(F)c(CCl)c(F)c1F
(2)InChI: InChI=1/C8H5ClF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3
(3)InChIKey: IEKYTIJMIUKVMR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H5ClF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3
(5)Std. InChIKey: IEKYTIJMIUKVMR-UHFFFAOYSA-N