4-BROMO-2,3,5,6-TETRAFLUOROBENZOYL CHLORIDE

The Benzoyl chloride, 4-bromo-2, 3, 5, 6-tetrafluoro-, with the CAS registry number of 122033-54-9, is also known as B169. This chemical's molecular formula is C₇BrClF₄O and molecular weight is 291.42. What's more, its IUPAC name is 4-Bromo-2, 3, 5, 6-tetrafluorobenzoyl chloride. In addition, Benzoyl chloride, 4-bromo-2, 3, 5, 6-tetrafluoro- must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with light, ignition source, high temperature. Besides, you should ensure the work place is well-ventilated.

Physical properties about Benzoyl chloride, 4-bromo-2, 3, 5, 6-tetrafluoro- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.67; (6)ACD/BCF (pH 7.4): 72.67; (7)ACD/KOC (pH 5.5): 748.14; (8)ACD/KOC (pH 7.4): 748.14; (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: 1.505; (14)Molar Refractivity: 44.16 cm³; (15)Molar Volume: 148.8 cm³; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 1.957 g/cm³; (18)Flash Point: 84.8 °C; (19)Enthalpy of Vaporization: 45.29 kJ/mol; (20)Boiling Point: 216.5 °C at 760 mmHg; (21)Vapour Pressure: 0.139 mmHg at 25 °C.

Uses of Benzoyl chloride, 4-bromo-2, 3, 5, 6-tetrafluoro-: it is used to produce other chemicals. For example, it is used to produce 3-(4-Bromo-2, 3, 5, 6-tetrafluoro-phenyl)-3-oxo-propionic acid ethyl ester. The reaction needs reagent BuLi. The yield is about 86 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. 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: Fc1c(c(F)c(F)c(Br)c1F)C(Cl)=O
(2) InChI: InChI=1/C7BrClF4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13
(3) InChIKey: XVYIQLOULDERAO-UHFFFAOYAZ