2-CHLORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

The Benzoyl chloride,2-chloro-5-(trifluoromethyl)-, with the CAS registry number 657-05-6, is also known as m-Toluoylchloride, 6-chloro-a,a,a-trifluoro- (7CI,8CI). This chemical's molecular formula is C₈H₃Cl₂F₃O and molecular weight is 243.01. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-5-(trifluoromethyl)benzoyl chloride. It should be kept in a cold and dry place.

Physical properties about Benzoyl chloride,2-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 274.26; (6)ACD/BCF (pH 7.4): 274.26; (7)ACD/KOC (pH 5.5): 1935.71; (8)ACD/KOC (pH 7.4): 1935.71; (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: 1.486; (14)Molar Refractivity: 46.37 cm³; (15)Molar Volume: 161.3 cm³; (16)Surface Tension: 32.1 dyne/cm; (17)Density: 1.506 g/cm³; (18)Flash Point: 96.1 °C; (19)Enthalpy of Vaporization: 47.21 kJ/mol; (20)Boiling Point: 235.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0503 mmHg at 25 °C.

Uses of Benzoyl chloride,2-chloro-5-(trifluoromethyl)-: (1) it is used as organic synthetic raw materials; (2) it is used to produce other chemicals. For example, it is used to produce Phenylmethyl 3-(2-chloro-5-(trifluoromethyl)phenyl)-3-oxo-2-(2'-pyridyl)propanoate. This reaction needs reagent LDA and solvent tetrahydrofuran at temperature of -78 - 0 °C. The reaction time is 1 hour. The yield is 70 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause burns and destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cl)c1cc(ccc1Cl)C(F)(F)F
(2) InChI: InChI=1/C8H3Cl2F3O/c9-6-2-1-4(8(11,12)13)3-5(6)7(10)14/h1-3H
(3) InChIKey: FRARPACTAFPNNL-UHFFFAOYAR