2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE

This chemical is called Ethanone,2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]-, and it's also named as 3-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenone. With the molecular formula of C₉H₄F₆O, its molecular weight is 242.12. The CAS registry number of this chemical is 721-37-9. Additionally, its product categories are C9; Carbonyl Compounds; Ketones.

Other characteristics of the Ethanone,2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 160.55; (6)ACD/BCF (pH 7.4): 160.55; (7)ACD/KOC (pH 5.5): 1319.4; (8)ACD/KOC (pH 7.4): 1319.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 41.71 cm³; (15)Molar Volume: 170.8 cm³; (16)Polarizability: 16.53×10^-24cm³; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 59.4 °C; (20)Enthalpy of Vaporization: 39.72 kJ/mol; (21)Boiling Point: 160.6 °C at 760 mmHg; (22)Vapour Pressure: 2.37 mmHg at 25°C.

Uses of this chemical: The Ethanone,2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]- could react with methanesulfonyl chloride to obtain the 1-trifluoromethyl-3-(1-trifluoromethyl-vinyl)-benzene. This reaction needs the reagents of KF, 18-crown-6, and the solvent of dimethylformamide. The yield is 90 %. In addition, this reaction should be taken for 5 hours at the temperature of 110  °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1cccc(C(=O)C(F)(F)F)c1
2.InChI: InChI=1/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H
3.InChIKey: MDCHHRZBYSSONX-UHFFFAOYAZ