2,2,2,3'-TETRAFLUOROACETOPHENONE

The IUPAC name of Ethanone,2,2,2-trifluoro-1-(3-fluorophenyl)- is 2,2,2-trifluoro-1-(3-fluorophenyl)ethanone. With the CAS registry number 708-64-5, it is also named as Acetophenone, 2,2,2,3'-tetrafluoro-. The product should be stored in ventilated, dark and dry place at room temperature. In addition, its molecular formula is C₈H₄F₄O and molecular weight is 192.11.

The other characteristics of this product can be summarized as: (1)EINECS: 211-903-6; (2)ACD/LogP: 2.25; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.25; (5)ACD/LogD (pH 7.4): 2.25; (6)ACD/BCF (pH 5.5): 30.24; (7)ACD/BCF (pH 7.4): 30.24; (8)ACD/KOC (pH 5.5): 399.39; (9)ACD/KOC (pH 7.4): 399.39; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 17.07 Å²; (14)Index of Refraction: 1.432; (15)Molar Refractivity: 36.73 cm³; (16)Molar Volume: 141.5 cm³; (17)Polarizability: 14.56×10^-24cm³; (18)Surface Tension: 27.1 dyne/cm; (19)Density: 1.357 g/cm³; (20)Flash Point: 62.2 °C; (21)Enthalpy of Vaporization: 40.87 kJ/mol; (22)Boiling Point: 172.3 °C at 760 mmHg; (23)Vapour Pressure: 1.34 mmHg at 25 °C.

Uses of Ethanone,2,2,2-trifluoro-1-(3-fluorophenyl)-: it can be used to produce dl-1-(m-Fluorphenyl)-2,2,2-trifluoraethanol.



This reaction needs LiAlH₄. The yield is 41 %.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. 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: O=C(c1cc(F)ccc1)C(F)(F)F
(2)InChI: InChI=1/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
(3)InChIKey: NQSPTMFCJGKOQJ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
(5)Std. InChIKey: NQSPTMFCJGKOQJ-UHFFFAOYSA-N