2,6-DIFLUORO-3-METHYLBENZOYL CHLORIDE

The Benzoyl chloride,2,6-difluoro-3-methyl-, with the CAS registry number 261763-39-7, is also known as 2,6-Difluoro-m-toluoyl chloride. It belongs to the product categories of Acidhalide; Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C₈H₅ClF₂O and molecular weight is 190.57. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Difluoro-3-methylbenzoyl chloride.

Physical properties about Benzoyl chloride,2,6-difluoro-3-methyl- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.39; (6)ACD/BCF (pH 7.4): 18.39; (7)ACD/KOC (pH 5.5): 279.77; (8)ACD/KOC (pH 7.4): 279.77; (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: 1.499; (14)Molar Refractivity: 41.3 cm³; (15)Molar Volume: 140.5 cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1.356 g/cm³; (18)Flash Point: 76.7 °C; (19)Enthalpy of Vaporization: 43.94 kJ/mol; (20)Boiling Point: 203.1 °C at 760 mmHg; (21)Vapour Pressure: 0.282 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and it is harmful if swallowed. 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. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(Cl)=O)c(F)c(cc1)C
(2) InChI: InChI=1/C8H5ClF2O/c1-4-2-3-5(10)6(7(4)11)8(9)12/h2-3H,1H3
(3) InChIKey: LXCIIPPXRHOCQN-UHFFFAOYAN