2,3,4,5-Tetrafluorobenzoyl chloride

The 2,3,4,5-Tetrafluorobenzoyl chloride, with the CAS registry number 94695-48-4, is also called Benzoyl chloride, 2,3,4,5-tetrafluoro-. It is a kind of clear colorless liquid, and belongs to the following product categories: Miscellaneous; API intermediates; Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₇HClF₄O.

The characteristics of 2,3,4,5-Tetrafluorobenzoyl chloride are as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 41.98; (6)ACD/BCF (pH 7.4): 41.98; (7)ACD/KOC (pH 5.5): 505.07; (8)ACD/KOC (pH 7.4): 505.07; (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: 1.461; (14)Molar Refractivity: 36.47 cm³; (15)Molar Volume: 132.6 cm³; (16)Polarizability: 14.45×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.601 g/cm³; (19)Flash Point: 59.3 °C; (20)Enthalpy of Vaporization: 41.07 kJ/mol; (21)Boiling Point: 174.4 °C at 760 mmHg; (22)Vapour Pressure: 1.21 mmHg at 25°C.

Preparation of 2,3,4,5-Tetrafluorobenzoyl chloride: This chemical can be prepared by 2,3,4,5-tetrafluorobenzoic acid. The reaction will need reagent SOCl₂. The reaction time is 12 hours with heating. 

Uses of 2,3,4,5-Tetrafluorobenzoyl chloride: It can react with malonic acid monoethyl ester to produce ethyl 2,3,4,5-tetrafluorobenzoylacetate. This reaction will need reagent n-butyllithium, biquinoline, and the menstruum tetrahydrofuran. The reaction time is 0.5 hours, and the yield is about 89%.

You should be cautious while dealing with this chemical. It irritates to eyes and respiratory system, and may cause burns. Therefore, you had better take the following instructions: Avoid contact with eyes; Wear suitable protective clothing, gloves and eye/face protection; 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: Fc1c(cc(F)c(F)c1F)C(Cl)=O
(2)InChI: InChI=1/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
(3)InChIKey: XWCKIXLTBNGIHV-UHFFFAOYAH