1006-41-3

Basic information

• Product Name: 2-Bromo-4-fluorobenzoic acid
• Synonyms: RARECHEM AL BO 1996;BUTTPARK 18\02-85;2-BROMO-4-FLUOROBENZOIC ACID;2-Bromo-4-Fluorobenzoic;2-Bromo-4-fluorobenzoicacid98%;2-bromo-4-fluorobenzioc acid;2-BroMo-4-fluorobenzoic Acid, 97+%;2-Bromofluorobenzoic Acid
• CAS NO: 1006-41-3
• Molecular Formula: C₇H₄BrFO₂
• Molecular Weight: 219.01
• EINECS: -0
• Product Categories: Fluorin-contained Benzoic acid series;FINE Chemical & INTERMEDIATES;blocks;Bromides;Carboxes;FluoroCompounds;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Fluorobenzene;Acids & Esters;Bromine Compounds;Fluorine Compounds;C7;Carbonyl Compounds;Carboxylic Acids;Benzoic acid series;intermediate
• Mol File: 1006-41-3.mol

Chemical Properties

• Melting Point: 172-176 °C(lit.)
• Boiling Point: 294.257 °C at 760 mmHg
• Flash Point: 131.762 °C
• Appearance: white fine powder
• Density: 1.7218 (rough estimate)
• Vapor Pressure: 0.000745mmHg at 25°C
• Refractive Index: 1.4240 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.79±0.10(Predicted)
• Water Solubility: Soluble in water and methanol.
• BRN: 2614292
• CAS DataBase Reference: 2-Bromo-4-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-4-fluorobenzoic acid(1006-41-3)
• EPA Substance Registry System: 2-Bromo-4-fluorobenzoic acid(1006-41-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 1006-41-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
2-Bromo-4-fluorobenzoic acid is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of a range of therapeutic agents with potential applications in treating different medical conditions.
Used in the Synthesis of Dibenzo[b,f]thiepin Derivatives:
In the pharmaceutical industry, 2-Bromo-4-fluorobenzoic acid is used as a starting material for the synthesis of 3-fluoro-8-(methylthio)dibenzo[b,f]thiepin-10(11H)-one, 2-fluoro-8-(methylthio)dibenzo[b,f]thiepin-10(11H)-one, and other related dibenzo[b,f]thiepin derivatives. These compounds are of interest due to their potential therapeutic properties.
Used in the Synthesis of Benzamide and Benzoic Acid Derivatives:
2-Bromo-4-fluorobenzoic acid is also utilized in the synthesis of 2-((2-carboxy-5-fluorophenyl)amino)-3-methoxybenzoic acid and 2-bromo-4-fluorobenzamide. These compounds may have applications in medicinal chemistry and drug development.
Used in the Preparation of Boron-Containing Anti-Fungal Agents:
In the field of antifungal agents, 2-Bromo-4-fluorobenzoic acid is used in the preparation of boron-containing compounds. These agents are effective in the treatment of fungal infections, particularly onychomycosis, a condition affecting the nails.
Used in Amination Reactions:
2-Bromo-4-fluorobenzoic acid can undergo amination reactions, as demonstrated by its reaction with aniline to yield N-phenyl-4-fluoro-anthranilic acid. This property allows for the expansion of its applications in the synthesis of various nitrogen-containing organic compounds.

InChI:InChI=1/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)/p-1

Upstream product

• 456-22-4 4-Fluorobenzoic acid 
• 59142-68-6 2-bromo-4-fluorobenzaldehyde 
• 7745-91-7 3-bromo-4-methylaniline 
• 1422-53-3 2-bromo-4-fluorotoluene 

Downstream Products

• 56096-91-4 2-(4-chlorophenylthio)-4-fluorobenzoic acid 
• 141829-04-1 4-fluoro-2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)benzoic acid 
• 58913-04-5 4-fluoro-2-(4-methylthiophenylthio)-benzoic acid 
• 365-54-8 4-fluoro-2-phenylamino-benzoic acid 
• 229027-89-8 (2-bromo-4-fluorophenyl)methanol 
• 456-22-4 4-Fluorobenzoic acid 
• 653-92-9 methyl 2-bromo-4-fluorobenzoate 
• 56096-93-6 2-(4-Chlorphenylthio)-4-fluorbenzylalkohol 
• 56096-95-8 2-(4-Chlorphenylthio)-4-fluorbenzylchlorid 
• 56096-97-0 [2-(4-Chloro-phenylsulfanyl)-4-fluoro-phenyl]-acetonitrile 
• 56096-99-2 <2-(4-chlorophenylthio)-4-fluorophenyl>acetic acid 
• 410545-51-6 4-fluoro-2-(methylthio)benzoic acid 
• 95383-36-1 2-bromo-4-fluorobenzoyl chloride 
• 446-32-2 4-fluoroanthranilic acid 

Relevant articles and documents

Aerobic oxidation of aldehydes to carboxylic acids catalyzed by recyclable ag/c3 n4 catalyst

The oxidation of aldehydes is an efficient methodology for the synthesis of carboxylic acids. Herein we hope to report a simple, efficient and recyclable protocol for aerobic oxidation of aldehydes to carboxylic acid by using C3N4 supported silver nanoparticles (Ag/C3N4) as a catalyst in aqueous solution under mild conditions. Under standard conditions, the corresponding carboxylic acids can be obtained in good to excellent yields. In addition, Ag/C3N4 is convenient for recovery and could be reused three times with satisfactory yields.

Photoinduced Carbon Tetrabromide Initiated Aerobic Oxidation of Substituted Toluenes to Carboxylic Acids

A mild and metal-free procedure is reported for the aerobic oxidation of substituted toluenes to carboxylic acids by using CBr 4 as initiator under irradiation from a 400 nm blue light-emitting diode.

Light and oxygen-enabled sodium trifluoromethanesulfinate-mediated selective oxidation of C-H bonds

Visible light-induced organic reactions are important chemical transformations in organic chemistry, and their efficiency highly depends on suitable photocatalysts. However, the commonly used photocatalysts are precious transition-metal complexes and elaborate organic dyes, which hamper large-scale production due to high cost. Here, for the first time, we report a novel strategy: light and oxygen-enabled sodium trifluoromethanesulfinate-mediated selective oxidation of C-H bonds, allowing high-value-added aromatic ketones and carboxylic acids to be easily prepared in high-to-excellent yields using readily available alkyl arenes, methyl arenes and aldehydes as materials. The mechanistic investigations showed that the treatment of inexpensive and readily available sodium trifluoromethanesulfinate with oxygen under irradiation of light could in situ form a pentacoordinate sulfide intermediate as an efficient photosensitizer. The method represents a highly efficient, economical and environmentally friendly strategy, and the light and oxygen-enabled sodium trifluoromethanesulfinate photocatalytic system represents a breakthrough in photochemistry. This journal is

Synthesis method of benzoic acid compounds

The invention discloses a photocatalytic oxidation synthesis method of benzoic acid compounds, and the photocatalytic oxidation synthesis method comprises the following specific steps: mixing and dissolving toluene compounds and a catalyst in a solvent, reacting for 24-60h in the presence of an oxidant under the conditions of 350-460 nm LED illumination and a temperature of 20-80 DEG C, and performing post-treatment on the reaction liquid to obtain the benzoic acid compounds. The photocatalytic oxidation synthesis method has the advantages of no need of metal catalysts, simple operation and mild reaction conditions; oxygen is used as an oxidant, and the photocatalytic oxidation synthesis method has high atom economy, cheap reagent and environmental protection. The photocatalytic oxidationsynthesis method has good substrate applicability, and various substituents can realize the synthesis of corresponding benzoic acid compounds.

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.

PdII-catalyzed monoselective ortho halogenation of C-H bonds assisted by counter cations: A complementary method to directed ortho lithiation

(Chemical Equation Presented) When the counterion counts: The yield and selectivity of the title transformation of benzoic acid derivatives were improved greatly by using tetraalkyl ammonium salts as additives (see scheme; monoselectivity: 5:1-18:1). These effects are attributed to the influence of counter cations. The halogenated products are versatile intermediates for the construction of substituted aromatic compounds. DMF=N,N-dimethylformamide.

Process for the preparation of halogenated benzoic acids

A process for the preparation of halogenated benzoic acids of formula (1): STR1 in which R1, R2, R3, R4 and R5 are hydrogen, fluorine, chlorine or bromine atoms or C1 -C6 -alkyl, C1 -C6 -alkoxy, nitro, cyano, trifluoromethyl, aidehyde, C1 -C4 -alkoxycarbonyl, -SO2 -C1 -C4 -alkyl, -SO2 -phenyl, -CONH2, -CON(C1 -C4 -alkyl)2, hydroxy, carboxy, -NH2 or -N(C1 -C4 - alkyl)2 groups, at least one of the substituents R1 -R5 being one of said halogen atoms, which comprises reacting 1 mol of a benzophenone, asymmetrically substituted on the benzene rings A and B, of general formula (2): STR2 in which R1 -R10 are as defined above for R1 -R5, with about 1 to about 10 mol of an oxidizing agent selected from the group comprising hydrogen peroxide, urea/hydrogen peroxide addition product, an alkali metal peroxide, ammonium, alkali metal or alkaline earth metal peroxodisulfates, pertungstates, perborates or percarbonates, ozone, alkyl- or aryl-percarboxylic acids, alkyl- or aryl-persulfonic acids or persulfuric acid, at temperatures from about -20° to about +100° C.