3,5-Bis(trifluoromethyl)benzoyl chloride

The 3,5-Bis(trifluoromethyl)benzoyl chloride, with the CAS registry number 785-56-8, is also known as 3,5-di(Trifluoromethyl)benzoyl chloride. It belongs to the product categories of Miscellaneous; Benzotrifluoride Series; Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 212-322-0. This chemical's molecular formula is C₉H₃ClF₆O and molecular weight is 276.562939. Its IUPAC name is called 3,5-bis(trifluoromethyl)benzoyl chloride. This chemical is clear colorless to very slightly yellow liquid. The product should be sealed and stored in cool and dry place.

Physical properties of 3,5-Bis(trifluoromethyl)benzoyl chloride: (1)ACD/LogP: 4.60; (2)ACD/LogD (pH 5.5): 4.6; (3)ACD/LogD (pH 7.4): 4.6; (4)ACD/BCF (pH 5.5): 1847.96; (5)ACD/BCF (pH 7.4): 1847.96; (6)ACD/KOC (pH 5.5): 7583.95; (7)ACD/KOC (pH 7.4): 7583.95; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.421; (11)Molar Refractivity: 46.45 cm³; (12)Molar Volume: 182.8 cm³; (13)Surface Tension: 24.1 dyne/cm; (14)Density: 1.512 g/cm³; (15)Flash Point: 72.2 °C; (16)Enthalpy of Vaporization: 43.05 kJ/mol; (17)Boiling Point: 194.3 °C at 760 mmHg; (18)Vapour Pressure: 0.445 mmHg at 25°C.

Uses of 3,5-Bis(trifluoromethyl)benzoyl chloride: it can be used to produce 1-(3,5-bis-trifluoromethyl-benzoyl)-pyrrolidine-2-carboxylic acid benzyl ester at ambient temperature. This reaction will need reagent N-ethyldiisopropylamine and solvent CH₂Cl₂. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
(2)InChI: InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H
(3)InChIKey: WAKMMQSMEDJRRI-UHFFFAOYSA-N