3'-Fluoro-4'-(trifluoromethyl)acetophenone

The 3'-Fluoro-4'-(trifluoromethyl)acetophenone, with the CAS registry number 237761-81-8, is also known as 3-Fluoro-4-trifluoromethylacetophenone. This chemical's molecular formula is C₉H₆F₄O and molecular weight is 206.14. What's more, its systematic name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 3'-Fluoro-4'-(trifluoromethyl)acetophenone are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.65; (6)ACD/BCF (pH 7.4): 73.65; (7)ACD/KOC (pH 5.5): 755.33; (8)ACD/KOC (pH 7.4): 755.33; (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: 41.25 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 16.35×10^-24cm³; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 85.1 °C; (20)Enthalpy of Vaporization: 46.21 kJ/mol; (21)Boiling Point: 225.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0857 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. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC(=C(C=C1)C(F)(F)F)F
(2)InChI: InChI=1S/C9H6F4O/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13/h2-4H,1H3
(3)InChIKey: NXQBONPKAOTSNA-UHFFFAOYSA-N