403-16-7

Basic information

• Product Name: 3-Chloro-4-fluorobenzoic acid
• Synonyms: 3-CHLORO-4-FLUOROBENZOIC ACID;4-FLUORO-3-CHLOROBENZOIC ACID;TIMTEC-BB SBB003796;RARECHEM AL BO 0274;1-chloro-3-fluorobezene;3-Chloro-4-fluorobenzoic acid 98%;3-Chloro-4-fluorobenzoicacid98%;3-chloro-4-fluorobenzioc acid
• CAS NO: 403-16-7
• Molecular Formula: C₇H₄ClFO₂
• Molecular Weight: 174.56
• EINECS: -0
• Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Fluorobenzene;Miscellaneous;Acids & Esters;Chlorine Compounds;Fluorine Compounds;C7;Carbonyl Compounds;Carboxylic Acids
• Mol File: 403-16-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: 133-135 °C(lit.)
• Boiling Point: 92°C/22mm
• Flash Point: 127.6 °C
• Appearance: white to light yellow crystal powder
• Density: 1.4016 (estimate)
• Vapor Pressure: 0.00115mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.77±0.10(Predicted)
• BRN: 2574799
• CAS DataBase Reference: 3-Chloro-4-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloro-4-fluorobenzoic acid(403-16-7)
• EPA Substance Registry System: 3-Chloro-4-fluorobenzoic acid(403-16-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36-24/25
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 403-16-7(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

InChI:InChI=1/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)/p-1

Upstream product

• 456-22-4 4-Fluorobenzoic acid 
• 60811-21-4 1-bromo-3-chloro-4-fluorobenzene 
• 590-29-4 potassium formate 
• 65055-17-6 3-chloro-4-fluorobenzoyl chloride 

Downstream Products

• 896-03-7 3-chloro-4-fluoro-N-(3-morpholin-4-yl-propyl)-benzamide 
• 154257-76-8 2,3-Dichloro-4-fluoro-benzoic acid 
• 570408-12-7 N-(4-tert-butoxycarbonyl-2-chlorophenyl)isonipecotic acid ethyl ester 
• 137521-81-4 3-chloro-4-fluoro-benzoic acid ethyl ester 
• 161446-90-8 3-chloro-4-fluorobenzyl alcohol 
• 1220639-59-7 3-chloro-4-fluoro-N-{1-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)methyl]piperidin-4-yl}benzamide 
• 863454-79-9 azetidin-1-yl-(3-chloro-4-fluoro-phenyl)methanone 
• 1258305-00-8 C₂₆H₃₁ClFN₃O₃ 
• 1207642-86-1 3-chloro-4-fluoro-N-furan-2-ylmethyl-N-(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-benzamide 
• 234082-35-0 methyl 3-chloro-4-fluorobenzoate 
• 906559-46-4 tert-butyl 4-(2-chloro-4-methoxycarbonylphenyl)piperazine-1-carboxylate 

Relevant articles and documents

Effective palladium-catalyzed hydroxycarbonylation of aryl halides with substoichiometric carbon monoxide

A protocol for the Pd-catalyzed hydroxycarbonylation of aryl iodides, bromides, and chlorides has been developed using only 1-5 mol % of CO, corresponding to a pCO as low as 0.1 bar. Potassium formate is the only stoichiometric reagent, acting as a mildly basic nucleophile and a reservoir of CO. The substoichiometric CO could be delivered to the reaction from an acyl-Pd(II) precatalyst, which provides both the CO and an active catalyst, and thereby obviates the need for handling a toxic gas.

Two-step production of 3-chloro-4-fluoro-benzoyl chloride by chlorination

The present invention relates to a process for the preparation of 3-chloro-4-fluorobenzoyl chloride which comprises reacting 4-fluorobenzaldehyde with a chlorinating agent in the presence of a free-radical initiator in the presence or absence of a solvent at from ?20 to 200° C. to give 4-fluorobenzoyl chloride, and reacting the 4-fluorobenzoyl chloride with a chlorinating agent in the presence of a chlorination catalyst in the presence or absence of a solvent at from ?20 to 200° C. to give 3-chloro-4-fluorobenzoyl chloride.