58123-69-6

Basic information

• Product Name: 3-BROMO-4-CYANOBENZOIC ACID
• Synonyms: Benzoic acid, 3-bromo-4-cyano-
• CAS NO: 58123-69-6
• Molecular Formula: C₈H₄BrNO₂
• Molecular Weight: 226.02686
• Mol File: 58123-69-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-BROMO-4-CYANOBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-4-CYANOBENZOIC ACID(58123-69-6)
• EPA Substance Registry System: 3-BROMO-4-CYANOBENZOIC ACID(58123-69-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 58123-69-6(Hazardous Substances Data)

Usage

General Description

3-Bromo-4-Cyanobenzoic Acid is a complex organic compound that falls under the category of benzoic acids and derivatives. This suspended solid chemical contains properties of bromine (Br), cyanide (CN), and carboxylic acid (COOH). It's presented under the CAS number 6755-14-8 and its molecular formula is C7H3BrNO2, denoting the quantity of each component in the compound. Its appearance is usually in a crystal form. It's extensively employed in various scientific fields, primarily in organic synthesis where it is used as an intermediate. Its risk and safety assessment is required as it may be harmful if swallowed or if it comes into contact with skin or eyes, and can cause respiratory irritation. It also needs to be handled and packed according to EPA guidelines.

Upstream product

• 42872-73-1 4-methyl-2-bromobenzonitrile 
• 106896-49-5 methyl 4-amino-3-bromobenzoate 
• 942598-44-9 methyl 3-bromo-4-cyanobenzoate 

Downstream Products

• 1008520-70-4 2-Bromo-4-(3-methoxy-5,5-dimethyl-2-oxo-cyclohex-3-enecarbonyl)-benzonitrile 
• 1008519-98-9 2-Bromo-4-(1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-yl)-benzonitrile 
• 1008520-00-0 2-(Tetrahydro-pyran-4-ylamino)-4-(1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-yl)-benzonitrile 
• 1008520-02-2 2-(Tetrahydro-pyran-4-ylamino)-4-(1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-yl)-benzamide 
• 1609540-90-0 4-(((tert-butyldimethylsilyl)oxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
• 1609540-86-4 4-(((tert-butyldimethylsilyl)oxy)methyl)-2-formylbenzonitrile 
• 1609540-79-5 5-((tert-butyldimethylsilyloxy)methyl)-2-cyanobenzoic acid 
• 90110-97-7 2-bromo-4-(hydroxymethyl)benzonitrile 
• 1609540-82-0 2-bromo-4-((tert-butyldimethylsilyloxy)methyl)benzonitrile 

Relevant articles and documents

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