2-Chloro-4-fluorobenzoyl chloride

The Benzoyl chloride,2-chloro-4-fluoro-, with the CAS registry number 21900-54-9, is also known as 2-Chloro-4-fluorobenzene-1-carbonyl chloride. It belongs to the product categories of Acidhalide; Miscellaneous; Acid Halides Chemical Synthesis; Carbonyl Compounds; New Products for Chemical Synthesis; Organic Building Blocks. This chemical's molecular formula is C₇H₃Cl₂FO and molecular weight is 193.00. What's more, its systematic name is 2-chloro-4-fluorobenzoyl chloride. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, water and bases.

Physical properties of Benzoyl chloride,2-chloro-4-fluoro- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.89; (6)ACD/BCF (pH 7.4): 25.89; (7)ACD/KOC (pH 5.5): 357.4; (8)ACD/KOC (pH 7.4): 357.4; (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: 83 °C; (20)Enthalpy of Vaporization: 45 kJ/mol; (21)Boiling Point: 213.7 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When contacted with water, it will liberate toxic gas. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C7H3Cl2FO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H
(2)InChIKey: POIAZJJVWRVLBO-UHFFFAOYSA-N
(3)Canonical SMILES: C1=CC(=C(C=C1F)Cl)C(=O)Cl