5-CHLORO-2-FLUOROBENZOYL CHLORIDE

The Benzoyl chloride,5-chloro-2-fluoro-, with the CAS registry number 394-29-6, has the systematic name of 5-chloro-2-fluorobenzoyl chloride. It belongs to the following product categories: Aromatic Halides (substituted); Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₇H₃Cl₂FO.

The characteristics of Benzoyl chloride,5-chloro-2-fluoro- are as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.3; (6)ACD/BCF (pH 7.4): 54.3; (7)ACD/KOC (pH 5.5): 607.27; (8)ACD/KOC (pH 7.4): 607.27; (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)Density: 1.462 g/cm³; (19)Flash Point: 82.6 °C; (20)Enthalpy of Vaporization: 44.94 kJ/mol; (21)Boiling Point: 213 °C at 760 mmHg; (22)Vapour Pressure: 0.168 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Take off immediately all contaminated clothing; 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(C(Cl)=O)cc(Cl)cc1
(2)InChI: InChI=1/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
(3)InChIKey: VWGAATKTEAKOCO-UHFFFAOYAG