4'-FLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE

The IUPAC name of Ethanone,1-[4-fluoro-3-(trifluoromethyl)phenyl]- is 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone. With the CAS registry number 208173-24-4, it is also named as 4'-Fluoro-3'-(trifluoromethyl)acetophenone. The product is colorless liquid which should be stored in closed, ventilated, cool and dry place. In addition, its molecular formula is C₉H₆F₄O and its molecular weight is 206.14.

The other characteristics of Ethanone,1-[4-fluoro-3-(trifluoromethyl)phenyl]- can be summarized as: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.232; (4)ACD/LogD (pH 7.4): 3.232; (5)ACD/BCF (pH 5.5): 168.319; (6)ACD/BCF (pH 7.4): 168.319; (7)ACD/KOC (pH 5.5): 1364.816; (8)ACD/KOC (pH 7.4): 1364.816; (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: 1.433; (14)Molar Refractivity: 41.254 cm³; (15)Molar Volume: 158.684 cm³; (16)Polarizability: 16.355×10^-24cm³; (17)Surface Tension: 25.557 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 73.48 °C; (20)Enthalpy of Vaporization: 43.434 kJ/mol; (21)Boiling Point: 198.143 °C at 760 mmHg; (22)Vapour Pressure: 0.365 mmHg at 25 °C.

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. 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: CC(=O)c1ccc(c(c1)C(F)(F)F)F
(2)InChI: InChI=1/C9H6F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3
(3)InChIKey: SYFHRXQPXHETEF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H6F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3
(5)Std. InChIKey: SYFHRXQPXHETEF-UHFFFAOYSA-N