1007-16-5

Basic information

• Product Name: 3-Bromo-4-fluorobenzoic acid
• Synonyms: BUTTPARK 20\01-58;3-BROMO-4-FLUOROBENZOIC ACID;RARECHEM AL BO 0604;3-Bromo-4-fluorobenzoic acid 98%;3-Bromo-4-fluorobenzoicacid98%;3-BROMO-4-FIUOROBENZOIC ACID;Bromo-4-fluoro-benzoic acid
• CAS NO: 1007-16-5
• Molecular Formula: C₇H₄BrFO₂
• Molecular Weight: 219.01
• EINECS: 213-751-6
• Product Categories: Fluorin-contained Benzoic acid series;blocks;Bromides;Carboxes;FluoroCompounds;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Fluorobenzene;Miscellaneous;Acids & Esters;Bromine Compounds;Fluorine Compounds;C7;Carbonyl Compounds;Carboxylic Acids;Benzoic acid series;intermediate
• Mol File: 1007-16-5.mol

Chemical Properties

• Melting Point: 138-140 °C(lit.)
• Boiling Point: 306.6 °C at 760 mmHg
• Flash Point: 139.2 °C
• Appearance: White to slightly beige/Crystalline Powder
• Density: 1.789 g/cm³
• Vapor Pressure: 0.000333mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.75±0.10(Predicted)
• CAS DataBase Reference: 3-Bromo-4-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4-fluorobenzoic acid(1007-16-5)
• EPA Substance Registry System: 3-Bromo-4-fluorobenzoic acid(1007-16-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 1007-16-5(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
3-Bromo-4-fluorobenzoic acid is used as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structural features allow for further functionalization and modification, making it a versatile building block in the development of new molecules with specific biological activities.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Bromo-4-fluorobenzoic acid is used as a starting material for the synthesis of drugs with potential therapeutic applications. Its chemical properties enable the creation of novel drug candidates that can target specific biological pathways, offering new treatment options for various diseases.
Used in Agrochemical Industry:
3-Bromo-4-fluorobenzoic acid is also utilized in the agrochemical industry for the development of new pesticides and other crop protection agents. Its structural diversity allows for the design of compounds with improved efficacy and selectivity, contributing to more sustainable and environmentally friendly agricultural practices.
Used in Research and Development:
In the field of research and development, 3-Bromo-4-fluorobenzoic acid serves as an important compound for studying various chemical reactions and mechanisms. Its unique properties make it a valuable tool for understanding the reactivity of different functional groups and for developing new synthetic strategies.

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

Upstream product

• 452-62-0 3-bromo-4-fluorotoluene 
• 1007-15-4 4-fluoro-3-bromoacetophenone 
• 765916-94-7 (3-bromo-4-fluorophenyl)(oxo)acetaldehyde 
• 79630-23-2 3-bromo-4-fluorobenzonitrile 
• 13194-71-3 2-bromo-4-methyl-aniline; hydrochloride 
• 352-32-9 p-fluorotoluene 
• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 456-22-4 4-Fluorobenzoic acid 

Downstream Products

• 1378847-99-4 4-fluoro-3-propionylbenzoic acid 
• 77771-03-0 3-bromo-4-fluoro-benzyl alcohol 
• 1220124-55-9 3-bromo-4-fluoro-N-methoxy-N-methylbenzamide 
• 1616595-81-3 tert-butyl (9aS)-3-(3-cyano-4-fluorophenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate 

Relevant articles and documents

An efficient one pot method for synthesis of carboxylic acids from nitriles using recyclable ionic liquid [bmim]HSO4 Dedicated to my mentor Professor (Mrs.) Krishna Misra on her 76th birthday

Environmentally benign ionic liquid [bmim]HSO4 was found suitable for conversion of nitriles into carboxylic acids under mild conditions with excellent purity.

Elemental fluorine. Part 4. Use of elemental fluorine for the halogenation of aromatics

New methodolgy for direct iodination of benzenoid compounds has been developed; the aromatic substrate is simply mixed with iodine and sulfuric acid, suspended in an inert medium, such as 1,1,2-trichlorotrifluoroethane (CF2ClCFCl2) or perfluorocarbon, and elemental fluorine is passed through the system at room temperature. High conversions to iodoaromatic products occur, even with some deactivated systems, e.g. nitrobenzene. A very powerful brominating system is produced using the analagous methodology.

Halogens halt aromatic group migration in Baeyer-Villiger oxidation

Oxidation of a dihalogenated benzaldehyde under Baeyer-Villiger conditions led to the aromatic carboxylic acid as opposed to the desired phenol. Fluorine was located at the para-position of the benzaldehyde, halting migration of the aryl group and thus resulting in the carboxylic acid product.

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

GLUCOSE-SENSITIVE ALBUMIN-BINDING DERIVATIVES

This invention relates to glucose-sensitive albumin-binding diboron conjugates. More particularly the invention provides novel diboron compounds, and in particular diboronate or diboroxole compounds, useful as intermediate compounds for the synthesis of diboron conjugates. The diboron compounds are characterized by formula (I), which is: R1-X-R2, and wherein "X" is a mono- to multiatomic linker and where R1 and R2, which may be identical or different, each represents a group of Formula (lla) or (IIb) Also described are diboron conjugates represented by the general Formula (I'), which is: R1'-X'-R2', in which either the moeities R1' or R2' or X' carry a drug that is covalently attached to the diboron compound.

Metal-free oxidative cleavage of the C-C bond in α-hydroxy-β-oxophosphonates

The potential of TBHP to promote oxidative hydroxylation of α-hydroxy-β-oxophosphonates (HOPs) through C(CO)-C bond cleavage is described. This cleavage, as depicted in the mechanism is expected through an isomer of HOP that reacts with TBHP to generate acids.

A Metal-Free Approach to Carboxylic Acids by Oxidation of Alkyl, Aryl, or Heteroaryl Alkyl Ketones or Arylalkynes

The metal-free oxidation of dialkyl, alkyl aryl, or alkyl heteroaryl ketones or arylalkynes to the corresponding carboxylic acids is achieved using an oxidative mixture of Oxone and trifluoroacetic acid. This green method is a simple and mild protocol to obtain carboxylic derivatives in excellent yields.

DMSO/I2 mediated C-C bond cleavage of α-ketoaldehydes followed by C-O bond formation: A metal-free approach for one-pot esterification

A novel and efficient I2/DMSO mediated metal-free strategy is presented for the direct C-C bond cleavage of aryl-/heteroaryl- or aliphatic α-ketoaldehydes by C2-decarbonylation and C1-carbonyl oxidation to give the corresponding carboxylic acids followed by esterification in one pot, offering excellent yields in both the steps. Here, DMSO acts as the oxygen source/oxidant and this reaction works very well under both conventional heating and microwave irradiation. This is a very simple and convenient protocol.

Syntheses and evaluation of anti-inflammatory, analgesic and ulcerogenic activities of 1,3,4-oxadiazole and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives

Several 2,5-disubstituted-1,3,4-oxadiazoles (4af) and 3,6-disubstituted-1, 2,4-triazolo[3,4-b]-1,3,4-thiadiazoles (7af) were synthesized and characterized by elemental analyses and spectral data. These compounds were screened for their anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation activities. Compound 7c showed excellent anti-inflammatory and remarkable analgesic activity with reduced ulcerogenic and lipid peroxidation activity when compared with ibuprofen.

Synthesis of dictyomedins using phosphazene base catalyzed diaryl ether formation

Dictyomedins isolated from dictyostelium cellular slime molds were synthesized by using diaryl ether derivatives as key intermediates for the cyclization to dibenzofuran followed by palladium catalyzed intramolecular biaryl formation.