50397-74-5

Basic information

• Product Name: 4-Amino-3-bromobenzonitrile
• Synonyms: 4-Amino-3-bromobenzonitrile,97%;2-BROMO-4-CYANOANILINE;3-BROMO-4-AMINOBENZONITRILE;4-AMINO-3-BROMOBENZONITRILE;BUTTPARK 35\03-64;4-Amino-3-brombenzonitrile;4-Amino-3-bromobenzonitrile, GC 97%;4-AMINO-3-BROMOBENZONITRILE 97%
• CAS NO: 50397-74-5
• Molecular Formula: C₇H₅BrN₂
• Molecular Weight: 197.03
• Product Categories: Aromatic Nitriles;Nitrile;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 50397-74-5.mol
• Article Data: 21

Chemical Properties

• Melting Point: 106-110 °C(lit.)
• Boiling Point: 300.3 °C at 760 mmHg
• Flash Point: 135.4 °C
• Appearance: white to light yellow crystal powder
• Density: 1.6480 (rough estimate)
• Vapor Pressure: 0.00113mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: soluble in Methanol
• PKA: -0.34±0.10(Predicted)
• CAS DataBase Reference: 4-Amino-3-bromobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Amino-3-bromobenzonitrile(50397-74-5)
• EPA Substance Registry System: 4-Amino-3-bromobenzonitrile(50397-74-5)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-43-36/37/38-20/21/22
• Safety Statements: 36/37-36/37/39-26-22
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 50397-74-5(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

InChI:InChI=1/C7H5BrN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2

Upstream product

• 873-74-5 4-Aminobenzonitrile 
• 143321-91-9 3-bromo-4-(trifluoroacetylamino)benzonitrile 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 
• 619-72-7 4-nitrobenzonitrile 
• 33348-34-4 4-amino-3-iodobenzonitrile 

Downstream Products

• 679809-59-7 2-formyl-4-cyanoaniline 
• 42580-43-8 2-Bromo-4-aminomethylaniline 
• 690664-24-5 (E)-methyl 3-(2-amino-5-cyanophenyl)acrylate 
• 882671-52-5 tert-butyl N-(4-amino-3-bromobenzyl)carbamate 
• 882677-98-7 tert-butyl N-3-bromo-4-[(methylsulfonyl)amino]benzylcarbamate 

Relevant articles and documents

Selective Thiocyanation and Aromatic Amination to Achieve Organized Annulation of Enaminone with Thiocyanate

A tandem insertion of thiocyanate to enamine was performed for the regioselective synthesis of multisubstituted benzoimidazo[2,1-b]thiazoles. This method was shown to be effective in addressing the issue of isomerization encountered in common strategies. With a change made to the leading group on the aniline fragment of enamine, the reaction achieved different transformations, thus enabling multisubstituted benzo[4,5]imidazo[2,1-b]thiazoles and thiazoles in satisfactory yields.

Direct Synthesis of Structurally Divergent Indole Alkaloids from Simple Chemicals

A direct and structurally divergent synthesis of indole alkaloids from very simple 2-vinylanilines, alkynes and TBN via a novel substrate fragmentation/cycloaddition strategy has been developed, which provides an efficient noble-metal-free approach to access a library of highly valuable indole derivatives of tryptamines and tryptamine-related oximes, lactams, and lactones, as well as β-carbolines, spiroindolines, and hexa-hydropyrrolo[2,3-b]indoles.

Green synthesis method of bromoaromatic amine and alpha-bromoaromatic ketone

The invention discloses a green synthesis method of bromoaromatic amine and alpha-bromoaromatic ketone. The synthesis method comprises: adopting hydrobromic acid as a brominating agent, adopting 2-methylpyridine nitrate as a catalyst, and adopting molecular oxygen as an oxidizing agent, brominating an aromatic compound with a structure shown in formula (1) or aromatic ketone with a structure shown in formula (2) or (3), and preparing corresponding bromoaromatic amine or alpha-bromoaromatic ketone. The synthesis method is wide in substrate application reaction, high in atom utilization rate, capable of avoiding the application of the transitional metal element and volatile organic solvent and has the characteristics of economical efficiency and environmental protection. (Shown in the description).