3-Chloro-2-fluorobenzoic acid

The Benzoicacid, 3-chloro-2-fluoro-, with the CAS registry number 161957-55-7, has the IUPAC name of 3-chloro-2-fluorobenzoic acid. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Fine chemical & Intermediates; Blocks; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Aryl; Building Blocks; Halogenated; C7; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of this chemical is C₇H₄ClFO₂. What's more, it is usually used as chemical agent, organic intermediate and fine chemicals. And it is also used in the R&D of drugs.

The physical properties of Benzoicacid, 3-chloro-2-fluoro- are as following: (1)XLogP3-AA 2.2 ; (2)H-Bond Donor 1 ; (3)H-Bond Acceptor 3 ; (4)Rotatable Bond Count 1 ; (5)Exact Mass 173.988385 ; (6)MonoIsotopic Mass 173.988385 ; (7)Topological Polar Surface Area: 37.3; (8)Heavy Atom Count: 11; (9)Formal Charge: 0; (10)Complexity: 163; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Anion Count: 1; (19)Feature 3D Ring Count: 1; (20)Effective Rotor Count: 1; (21)Conformer Sampling RMSD: 0.4; (22)CID Conformer Count: 3.

Preparation of Benzoicacid, 3-chloro-2-fluoro-: This chemical can be prepared by 1-chloro-2-fluoro-benzene and carbon dioxide. The reaction will need reagent 1.6 M n-BuLi, and the solvents tetrahydrofuran and hexane. And the yield is about 70%. 

Uses of Benzoicacid, 3-chloro-2-fluoro-: It can react with methyllithium to produce 1-(3-chloro-2-fluorophenyl)ethanone. This reaction will need reagent Me₃SiCl, and the solvents tetrahydrofuran and diethyl ether. The reaction temperature is 0-10°C, and the yield is about 48%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)O
(2)InChI: InChI=1S/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: FCSSYEWURMTUSM-UHFFFAOYSA-N