Benzene,2-(chloromethyl)-1-methyl-4-(trifluoromethyl)- supplier

Name
2-METHYL-5-(TRIFLUOROMETHYL)BENZYL CHLORIDE
EINECS
CAS No. 225656-63-3
Density 1.249 g/cm³
Solubility
Melting Point
Formula C₉H₈ClF₃
Boiling Point 204.7 °C at 760 mmHg
Molecular Weight 208.611
Flash Point 79.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C,Xi
Synonyms 2-Chloromethyl-1-methyl-4-trifluoromethylbenzene;2-Methyl-5-(trifluoromethyl)benzyl chloride;
PSA 0.00000
LogP 3.75260

Benzene,2-(chloromethyl)-1-methyl-4-(trifluoromethyl)- 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

Product Name

2-METHYL-5-(TRIFLUOROMETHYL)BENZYL CHLORIDE

Benzene,2-(chloromethyl)-1-methyl-4-(trifluoromethyl)- Specification

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