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225656-63-3

Basic Information
CAS No.: 225656-63-3
Name: 2-METHYL-5-(TRIFLUOROMETHYL)BENZYL CHLORIDE
Molecular Structure:
Molecular Structure of 225656-63-3 (2-METHYL-5-(TRIFLUOROMETHYL)BENZYL CHLORIDE)
Formula: C9H8ClF3
Molecular Weight: 208.611
Synonyms: 2-Chloromethyl-1-methyl-4-trifluoromethylbenzene;2-Methyl-5-(trifluoromethyl)benzyl chloride;
Density: 1.249 g/cm3
Boiling Point: 204.7 °C at 760 mmHg
Flash Point: 79.4 °C
Hazard Symbols: CorrosiveC,IrritantXi
PSA: 0.00000
LogP: 3.75260
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Specification

The Benzene,2-(chloromethyl)-1-methyl-4-(trifluoromethyl)- is an organic compound with the formula C9H8ClF3. The systematic name of this chemical is 2-(chloromethyl)-1-methyl-4-(trifluoromethyl)benzene. With the CAS registry number 225656-63-3, it is also named as 2-Methyl-5-(trifluoromethyl)benzyl chloride.

Physical properties about Benzene,2-(chloromethyl)-1-methyl-4-(trifluoromethyl)- are: (1)D/LogP: 3.52; (2)ACD/LogD (pH 5.5): 3.52; (3)ACD/LogD (pH 7.4): 3.52; (4)ACD/BCF (pH 5.5): 278.1; (5)ACD/BCF (pH 7.4): 278.1; (6)ACD/KOC (pH 5.5): 1955.09; (7)ACD/KOC (pH 7.4): 1955.09; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.461; (10)Molar Refractivity: 45.82 cm3; (11)Molar Volume: 166.9 cm3; (12)Polarizability: 18.16×10-24cm3; (13)Surface Tension: 26.1 dyne/cm; (14)Density: 1.249 g/cm3; (15)Flash Point: 79.4 °C; (16)Enthalpy of Vaporization: 42.29 kJ/mol; (17)Boiling Point: 204.7 °C at 760 mmHg; (18)Vapour Pressure: 0.372 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(ccc1C)C(F)(F)F
(2)InChI: InChI=1/C9H8ClF3/c1-6-2-3-8(9(11,12)13)4-7(6)5-10/h2-4H,5H2,1H3
(3)InChIKey: ZUZJZUFMXLLABC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8ClF3/c1-6-2-3-8(9(11,12)13)4-7(6)5-10/h2-4H,5H2,1H3
(5)Std. InChIKey: ZUZJZUFMXLLABC-UHFFFAOYSA-N