446-30-0

Basic information

• Product Name: 4-Chloro-2-fluorobenzoic acid
• Synonyms: RARECHEM AL BO 0755;TIMTEC-BB SBB003797;Benzoic acid, 4-chloro-2-fluoro-;4-Chloro-2-Fluorobenzoic Acid 2-Fluoro-4-Chlorobenzoic Acid;4-CHLORO-2-FLUOROBENZOIC ACID 98%(HPL&;4-Chloro-2-Fluorobenzoic;4-Chloro-2-fluorobenzoic acid 98%;4-Chloro-2-fluorobenzoicacid98%
• CAS NO: 446-30-0
• Molecular Formula: C₇H₄ClFO₂
• Molecular Weight: 174.56
• EINECS: 207-162-3
• Product Categories: blocks;Carboxes;FluoroCompounds;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Fluorobenzene;API intermediates;Acids & Esters;Chlorine Compounds;Fluorine Compounds;C7;Carbonyl Compounds;Carboxylic Acids;Fluorine series
• Mol File: 446-30-0.mol

Chemical Properties

• Melting Point: 204-208 °C(lit.)
• Boiling Point: 274.7 °C at 760 mmHg
• Flash Point: 119.9 °C
• Appearance: White to light yellow crystal powder
• Density: 1.4016 (estimate)
• Vapor Pressure: 0.00259mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.04±0.10(Predicted)
• Water Solubility: insoluble
• BRN: 973358
• CAS DataBase Reference: 4-Chloro-2-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-2-fluorobenzoic acid(446-30-0)
• EPA Substance Registry System: 4-Chloro-2-fluorobenzoic acid(446-30-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 446-30-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
4-Chloro-2-fluorobenzoic acid is used as a starting reagent for the synthesis of furosemide, a widely prescribed diuretic medication. It plays a crucial role in the development of this medication due to its unique chemical structure.
Used in Chemical Synthesis:
In the chemical industry, 4-chloro-2-fluorobenzoic acid serves as a key intermediate in the synthesis of 4′-chloro-2′-fluoroacetophenone, a compound with potential applications in various chemical processes.
Used in Agricultural Chemistry:
4-Chloro-2-fluorobenzoic acid is utilized in the synthesis of novel herbicidal isoxazolecarboxamides, which are designed to control the growth of unwanted plants in agricultural settings. Its unique properties contribute to the development of effective and targeted herbicides.
Used in Material Science:
4-Chloro-2-fluorobenzoic acid is also employed in the preparation of potential liquid crystals, which have a wide range of applications in display technologies and other advanced materials due to their unique optical and electrical properties.

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

Upstream product

• 452-75-5 4-chloro-2-fluorotoluene 
• 175711-83-8 4’-chloro-2’-fluoroacetophenone 
• 148893-72-5 4-chloro-2-fluorobenzoic acid methyl ester 

Downstream Products

• 394-39-8 4-chloro-2-fluorobenzoyl chloride 
• 52333-65-0 2-(4-chloro-2-fluoro-phenyl)-oxazolo[4,5-b]pyridine 
• 57946-56-2 2-fluoro-4-chloroaniline 
• 689276-09-3 4-(4-chloro-2-fluoro-benzoylamino)-1-(3-hydroxy-propyl)-1H-pyrrole-2-carboxylic acid ethyl ester 
• 689276-07-1 4-(4-chloro-2-fluoro-benzoylamino)-1-(3-dimethylamino-propyl)-1H-pyrrole-2-carboxylic acid ethyl ester 
• 478803-85-9 4-(4-chloro-2-fluoro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid 
• 682748-73-8 4-(4-chloro-2-fluoro-benzoylamino)-1-(3-hydroxy-propyl)-1H-pyrrole-2-carboxylic acid 
• 682749-61-7 4-(4-chloro-2-fluoro-benzoylamino)-1-(3-dimethylamino-propyl)-1H-pyrrole-2-carboxylic acid 
• 682748-75-0 4-(4-chloro-2-fluoro-benzoylamino)-1-(3-hydroxy-propyl)-1H-pyrrole-2-carboxylic acid [5-(1H-benzoimidazol-2-yl)-1-methyl-1H-pyrrol-3-yl]-amide 

Relevant articles and documents

Photoinduced FeCl3-Catalyzed Alkyl Aromatics Oxidation toward Degradation of Polystyrene at Room Temperature?

While polystyrene is widely used in daily life as a synthetic plastic, the subsequently selective degradation is still very challenging and highly required. Herein, we disclose a highly practical and selective reaction for the catalytically efficient oxidation of alkyl aromatics (including 1°, 2°, and 3° alkyl aromatics) to carboxylic acids. While dioxygen was used as the sole terminal oxidant, this protocol was catalyzed by the inexpensive and readily available ferric compound (FeCl3) with irradiation of visible light (blue LEDs) under only 1 atmosphere of O2 at room temperature. This system could further facilitate the selective degradation of polystyrene to benzoic acid, providing an important and practical tool to generate high-value chemical from abundant polystyrene wastes.

Synthesis method of 2-fluoro-4-halogen benzoic acid

The invention provides a synthesis method of 2-fluoro-4-halogen benzoic acid. The synthesis method comprises the following steps: (a) removing hydrogen from a substance shown in a formula (I) by using a lithium amide reagent or an alkyl lithium reagent (LDA, TMPLi, n-butyl lithium and the like), and reacting with trialkyl halosilane (TMSCl, TESCl, TBSCl and the like) to obtain a compound shown in a formula (II); (b) removing hydrogen from the compound represented by the formula (II) obtained in the step (a) by using a lithium amide reagent or an alkyl lithium reagent (LDA, TMPLi, n-butyl lithium and the like), and adding into dry ice/THF to react to obtain a compound represented by a formula (III); and (c) removing a trialkyl silane protecting group from the compound shown in the formula (III) obtained in the step (b) to obtain a compound shown in a formula (IV). According to the preparation method, starting raw materials, process routes and post-treatment processes are different, the raw materials are simple and easy to obtain, the cost is low, and the preparation method is suitable for laboratory small-scale preparation and industrial production.

Continuous synthesis method for substituted benzoic acid organic matter

The invention provides a continuous synthesis method for a substituted benzoic acid organic matter. The continuous synthesis method comprises the following steps: in the presence of a catalyst and anorganic solvent, continuously putting an organic matter of a formula (I) shown in the specification, and oxygen into a continuous reaction device, carrying out a continuous oxidation reaction so as toobtain the substituted benzoic acid organic matter, and continuously discharging the substituted benzoic acid organic matter, wherein the substituted benzoic acid organic matter is of a structure ofa formula (II) shown in the specification. Oxygen is a green reagent and is cheap and easy to obtain, a great amount of wastes are not generated after reactions are completed, and the system is easy to treat. Due to continuous reaction operation, the risk that the solvent has flash evaporation explosion because of high-concentration oxygen in in-batch reactions can be reduced. Under same oxidationconditions, due to a continuous preparation process, escape of oxygen can be reduced, the utilization rate of oxygen can be greatly increased, operation can be also simplified, the security of reactions can be improved, and the yield of the substituted benzoic acid organic matter can be increased.

Chemoselectivity of cobalt-catalysed carbonylation-A reliable platform for the synthesis of fluorinated benzoic acids

The cobalt-catalysed methoxycarbonylation of polysubstituted bromo,fluoro- and chloro,fluorobenzenes and 1,2,4-trichlorobenzene with emphasis on the chemo- and regio-selectivity of the reaction is described. The structures of isolated products of 1,4-dichloro-2-fluorobenzene carbonylation were determined by single-crystal X-ray diffraction. The fact that the fluorine substituents in the studied compounds remain intact indicates in favor of the anion-radical activation of aryl halides by a cobalt catalyst. For the first time, a universal method of preparation of the various fluorobenzoic acid derivatives from available raw materials with a good yield has been elaborated.

Oxidation of toluenes to benzoic acids by oxygen in non-acidic solvents

Oxidation of substituted toluenes by molecular oxygen at one atmosphere to the corresponding substituted benzoic acids in non-acidic solvents was investigated. Satisfactory oxidation of halo-, methoxy-, and cyano-toluenes were achieved using Co(C18H35O2) 2/NH4Br or Co(OAc)2/NaBr/AcOH as catalysts in the presence of a radical initiator.

PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME

The present invention provides a pyrimidine derivative represented by the formula: wherein R1p and R1q are the same or different, and each represents (1)hydrogen, (2)halogen, (3) a C1-6alkyl group which may be substituted or (4) a C1-6alkoxy group, and so on, R2 is halogen, a C1-6alkyl group, cyano group, and so on, Ar is a phenyl group which may be substituted or is a condensed hetero ring which may be substituted, which has excellent selective herbicidal activity, and a herbicide containing the derivative.

The Synthesis and Liquid-Crystal Transition Temperatures of Some Fluoro-Substituted Benzonitriles

Various laterally fluoro-substituted benzonitriles have been prepared containing a trans-4-(n-alkyl)cyclohexane ring linked to the 4-position of the benzonitriles either through a methyleneoxy (-CH2O-) or an ethylene (-CH2CH2-) bridge.The bridging group links the benzonitrile and cyclohexane rings either directly or through an additional 1,4-bonded cyclohexane or benzene ring.The synthesis and liquid-crystal transition temperatures of these new compounds are described.In several cases the nematic-isotropic transition temperatures of F-substituted benzonitriles are found to be higher than those of the non-laterally substituted analogues.

Substituted amino acids

Esters and thiolesters of amino acids, intermediates therefor, synthesis thereof, and the use of said esters and thiolesters and compositions for the control of pests.