2'-(Trifluoromethyl)acetophenone

The IUPAC name of Ethanone,1-[2-(trifluoromethyl)phenyl]- is 1-[2-(trifluoromethyl)phenyl]ethanone. With the CAS registry number 17408-14-9, it is also named as 2'-(Trifluoromethyl)acetophenone. The product's categories are Boronic Acid series; Fluorobenzene; Carbonyl Compounds; Aromatic Acetophenones & Derivatives (substituted); Benzenes; C9; Carbonyl Compounds; Ketones. Besides, it is clear colorless to very slightly yellow liquid, which should be stored in closed, dark, dry and ventilated place at room temperature. In addition, its molecular formula is C₉H₇F₃O and molecular weight is 188.15.

The other characteristics of this product can be summarized as: (1)EINECS: 241-434-2; (2)ACD/LogP: 2.64; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.64; (5)ACD/LogD (pH 7.4): 2.64; (6)ACD/BCF (pH 5.5): 59.41; (7)ACD/BCF (pH 7.4): 59.41; (8)ACD/KOC (pH 5.5): 647.65; (9)ACD/KOC (pH 7.4): 647.65; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 1; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 41.26 cm³; (15)Molar Volume: 154.4 cm³; (16)Surface Tension: 26.2 dyne/cm; (17)Density: 1.218 g/cm³; (18)Flash Point: 84.4 °C; (19)Melting Point: 15-17 °C; (20)Enthalpy of Vaporization: 44.23 kJ/mol; (21)Boiling Point: 206.1 °C at 760 mmHg; (22)Vapour Pressure: 0.242 mmHg at 25 °C.

Preparation of Ethanone,1-[2-(trifluoromethyl)phenyl]-: this chemical can be prepared by Dibromo-difluoro-methane and 1-(2-Chloro-phenyl)-ethanone.



This reaction needs Copper, Dimethylacetamide at temperature of 100 °C. The reaction time is 8 hours. The yield is 38 %.

Uses of Ethanone,1-[2-(trifluoromethyl)phenyl]-: it can react with Triethoxy-vinyl-silane to get 2-Trifluoromethyl-6-[2-(triethoxysilyl)ethyl]acetophenone.



This reaction needs [Ru(H₂)(CO)(PPh₃)₃] and Toluene at temperature of 135 °C for 24 hours. The yield is 92 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. And  please avoid contact with skin and eyes. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)c1ccccc1C(=O)C
(2)InChI:InChI=1/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3
(3)InChIKey:FYDUUODXZQITBF-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3
(5)Std. InChIKey:FYDUUODXZQITBF-UHFFFAOYSA-N