2,6-Difluorobenzoyl chloride

The Benzoylchloride, 2,6-difluoro-, with the CAS registry number 18063-02-0 and EINECS registry number 241-971-2, has the systematic name of 2,6-difluorobenzoyl chloride. It is a kind of clear colourless to light yellow liquid, and belongs to the following product categories: Miscellaneous; Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₇H₃ClF₂O.

The characteristics of Benzoylchloride, 2,6-difluoro- are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.22; (6)ACD/BCF (pH 7.4): 8.22; (7)ACD/KOC (pH 5.5): 157.22; (8)ACD/KOC (pH 7.4): 157.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Ų; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 36.48 cm³; (15)Molar Volume: 124.2 cm³; (16)Polarizability: 14.46×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 56.2 °C; (20)Enthalpy of Vaporization: 42.28 kJ/mol; (21)Boiling Point: 186.5 °C at 760 mmHg; (22)Vapour Pressure: 0.659 mmHg at 25°C.

Preparation of Benzoylchloride, 2,6-difluoro-: This chemical can be prepared by 2,6-Difluorbenzoesaeure-ethylester. The reaction will need reagent thionyl chloride. The reaction time is 3 hours with heating. 

Uses of Benzoylchloride, 2,6-difluoro-: It can react with ethanol to produce 2,6-Difluorbenzoesaeure-ethylester. And the yield is about 92%. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Cl)c1c(F)cccc1F
(2)InChI: InChI=1/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
(3)InChIKey: QRHUZEVERIHEPT-UHFFFAOYAR