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395-48-2

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Basic Information
CAS No.: 395-48-2
Name: 2-(TRIFLUOROMETHYL)ANISOLE
Article Data: 36
Molecular Structure:
Molecular Structure of 395-48-2 (2-(TRIFLUOROMETHYL)ANISOLE)
Formula: C8H7F3O
Molecular Weight: 176.138
Synonyms: Anisole,o-(trifluoromethyl)- (5CI);1-Methoxy-2-(trifluoromethyl)benzene;2-(Trifluoromethyl)anisole;o-(Trifluoromethyl)anisole;
Density: 1.198 g/cm3
Boiling Point: 172.5 °C at 760 mmHg
Flash Point: 64.3 °C
Hazard Symbols: 10:;
Risk Codes: 10
Safety: 16-33
PSA: 9.23000
LogP: 2.71400
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Specification

The 2-(Trifluoromethyl)anisole with the cas number 395-48-2 is also called Benzene,1-methoxy-2-(trifluoromethyl)-. The systematic name is 1-methoxy-2-(trifluoromethyl)benzene. Its molecular formula is C8H7F3O. This chemical belongs to the following product categories: (1)Anisoles, Alkyloxy Compounds & Phenylacetates; (2)Fluorine Compounds.

The properties of the chemical are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.65; (6)ACD/BCF (pH 7.4): 150.65; (7)ACD/KOC (pH 5.5): 1260.65; (8)ACD/KOC (pH 7.4): 1260.65; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 37.91 cm3; (15)Molar Volume: 146.9 cm3; (16)Polarizability: 15.02×10-24cm3; (17)Surface Tension: 22.8 dyne/cm; (18)Enthalpy of Vaporization: 39.2 kJ/mol; (19)Vapour Pressure: 1.77 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1OC
(2)InChI: InChI=1/C8H7F3O/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3
(3)InChIKey: BHPJMWUXVOTGQU-UHFFFAOYAY