4-(Trifluoromethoxy)benzoyl chloride

The Benzoyl chloride,4-(trifluoromethoxy)-, with the CAS registry number 36823-88-8, has the systematic name of 4-(trifluoromethoxy)benzoyl chloride. It is a kind of moisture sensitive chemical, and belongs to the following product categories: Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₈H₄ClF₃O₂.

The characteristics of Benzoyl chloride,4-(trifluoromethoxy)- are as followings: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.42; (6)ACD/BCF (pH 7.4): 230.42; (7)ACD/KOC (pH 5.5): 1708.84; (8)ACD/KOC (pH 7.4): 1708.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 43.63 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 17.29×10^-24cm³; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 89.1 °C; (20)Enthalpy of Vaporization: 45.69 kJ/mol; (21)Boiling Point: 220.5 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25°C. 

Uses of Benzoyl chloride,4-(trifluoromethoxy)-: It can react with 1-methoxy-2-methyl-1-trimethylsiloxypropene to produce 2,2-dimethyl-3-oxo-3-(4-trifluoromethoxy-phenyl)-propionic acid methyl ester. This reaction will need reagent BF₃^.Et₂O, and the menstruum diethyl ether. The reaction time is 24 hours with heating, and the yield is about 41%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)C(Cl)=O
(2)InChI: InChI=1/C8H4ClF3O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
(3)InChIKey: ZXKKOFJYPRJFIE-UHFFFAOYAX