4-(TRIFLUOROMETHYL)BENZOYL FLUORIDE

The Benzoyl fluoride,4-(trifluoromethyl)-, with the CAS registry number 368-94-5, is also known as p-Trifluoromethylbenzoyl fluoride. Its EINECS registry number is 206-715-6. This chemical's molecular formula is C₈H₄F₄O and molecular weight is 192.1104. What's more, its systematic name is 4-(Trifluoromethyl)benzoyl fluoride.

Physical properties about Benzoyl fluoride,4-(trifluoromethyl)- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 96.99; (6)ACD/BCF (pH 7.4): 96.99; (7)ACD/KOC (pH 5.5): 919.82; (8) ACD/KOC (pH 7.4): 919.82; (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: 1.426; (14)Molar Refractivity: 36.79 cm³; (15)Molar Volume: 143.4 cm³; (16)Polarizability: 14.58×10^-24cm³; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 64.8 °C; (20)Enthalpy of Vaporization: 41.45 kJ/mol; (21)Boiling Point: 178.2 °C at 760 mmHg; (22)Vapour Pressure: 1 mmHg at 25 °C.

Preparation of Benzoyl fluoride,4-(trifluoromethyl)-: this chemical can be prepared by with 4-Trifluoromethyl-benzaldehyde. This reaction needs reagent CsSO₄F and solvent Acetonitrile at temperature of 35 °C. The reaction time is 1.5 hours. The yield is 57 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may destroy living tissue on contact. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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)c1ccc(C(F)=O)cc1
(2) InChI: InChI=1/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
(3) InChIKey: RULVRLLGHXQORW-UHFFFAOYAQ