2-Chloro-6-fluorobenzene-1-carbonyl chloride

The Benzoyl chloride, 2-chloro-6-fluoro- with the CAS number 79455-63-3 is also called 2-Chloro-6-fluorobenzoylchloride. Its molecular formula is C₇H₃Cl₂FO. The EINECS registry number is 279-162-1. The product category is Acidhalide.

The properties of the Benzoyl chloride, 2-chloro-6-fluoro- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.2; (6)ACD/BCF (pH 7.4): 9.2; (7)ACD/KOC (pH 5.5): 170.47; (8)ACD/KOC (pH 7.4): 170.47; (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: 1.539; (14)Molar Refractivity: 41.38 cm³; (15)Molar Volume: 132 cm³; (16)Polarizability: 16.4×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 45.02 kJ/mol; (19)Vapour Pressure: 0.16 mmHg at 25°C.

Uses: This chemical can react with dithiocarbimidoic acid dimethyl ester to prepare N-(bis-methylsulfanyl-methylene)-2-chloro-6-fluoro-benzamide. This reaction needs solvent pyridine. The yield is 50%.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1c(F)cccc1Cl
(2)InChI: InChI=1/C7H3Cl2FO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
(3)InChIKey: GFNAJZAKJGKJCS-UHFFFAOYAF