31938-07-5

Basic information

• Product Name: 3-Bromophenylacetonitrile
• Synonyms: TIMTEC-BB SBB006625;3-BROMOBENZYL CYANIDE;3-BROMOPHENYLACETONITRILE;M-BROMOBENZYL CYANIDE;3-BROMOBENZYL CYANIDE 98%;Alpha-Bromo-M-Tolunitrile98%;3-Bromophenylacetonitrile, 98%+;3-Bromophenylacetonitrile,97%
• CAS NO: 31938-07-5
• Molecular Formula: C₈H₆BrN
• Molecular Weight: 196.04
• EINECS: 250-867-6
• Product Categories: Aromatic Nitriles;Nitrile;Miscellaneous
• Mol File: 31938-07-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: 26-29 °C
• Boiling Point: 114-115 °C (5 mmHg)
• Flash Point: >110°C
• Appearance: light yellow low melting crystalline solid
• Density: 1.5466 (rough estimate)
• Vapor Pressure: 0.00268mmHg at 25°C
• Refractive Index: 1.5700
• Storage Temp.: Room temperature.
• BRN: 2355439
• CAS DataBase Reference: 3-Bromophenylacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromophenylacetonitrile(31938-07-5)
• EPA Substance Registry System: 3-Bromophenylacetonitrile(31938-07-5)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-20/21/22/36/37/38
• Safety Statements: 36/37/39-26-26/36/37/39-36
• RIDADR: 3449
• WGK Germany: 3
• RTECS: AL8060000
• HazardClass: 6.1
• PackingGroup: I
• Hazardous Substances Data: 31938-07-5(Hazardous Substances Data)

Usage

Chemical Properties

Light yellow low melting crystalline solid

Uses

3-Bromophenylacetonitrile has been used in the synthesis of:a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione

InChI:InChI=1/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

Upstream product

• 84750-92-5 1-bromo-3-(2,2-difluorovinyl)benzene 
• 1624363-23-0 3-azido-2-methylbut-3-en-2-ol 
• 89598-96-9 (3-bromophenyl)boronic acid 
• 6011-14-9 2-aminoacetonitrile hydrochloride 
• 60312-83-6 2-(3-bromophenyl)acetamide 
• 328002-25-1 3-(3-bromo-phenyl)-2-thioxo-propionic acid 
• 151-50-8 potassium cyanide 
• 108-24-7 acetic anhydride 

Downstream Products

• 14062-30-7 ethyl 2-(3-bromophenyl)acetate 
• 1878-67-7 3-Bromophenylacetic acid 
• 93647-65-5 3-(3-bromo-phenyl)-pentane-1,3,5-tricarbonitrile 
• 29786-38-7 1-(3-bromophenyl)cyclobutane-1-carbonitrile 
• 125914-22-9 2-(5-bromo-2-nitrophenyl)acetonitrile 
• 124840-60-4 3-Brom-4-nitro-benzylcyanid 
• 97295-16-4 2-(3-bromophenyl)-3-phenylglycidonitrile 
• 83485-56-7 2-amino-3-(3-bromophenyl)-1-thia-4-chromone 
• 90433-20-8 2-(3-bromo-phenyl)-2-methyl-propionitrile 
• 857530-78-0 2-(3-bromo-phenyl)-3-phenyl-propionitrile 
• 1241383-59-4 3-amino-2-(3-bromophenyl)-4-(4-methoxyphenyl)-9H-xanthen-9-one 
• 1241383-58-3 3-amino-2-(3-bromophenyl)-4-(4-(trifluoromethyl) phenyl)-9H-xanthen-9-one 
• 1241383-61-8 3-amino-2-(3-bromophenyl)-4-pentyl-9H-xanthen-9-one 
• 1241383-62-9 3-amino-2-(3-bromophenyl)-4-(tert-butyl)-9H-xanthen-9-one 

Relevant articles and documents

Rapid and Simple Access to α-(Hetero)arylacetonitriles from Gem-Difluoroalkenes

A scalable cyanation of gem-difluoroalkenes to (hetero)arylacetonitrile derivatives was developed. This strategy features mild reaction conditions, excellent yields, wide substrate scope, and broad functional group tolerance. Significantly, in this reacti

Synthesis of α-aryl esters and nitriles: Deaminative coupling of α-aminoesters and α-aminoacetonitriles with arylboronic acids

Transition-metal-free synthesis of α-aryl esters and nitriles using arylboronic acids with α-aminoesters and α-aminoacetonitriles, respectively, as the starting materials has been developed. The reaction represents a rare case of converting C(sp3)-N bonds into C(sp3)-C(sp2) bonds. The reaction conditions are mild, demonstrate good functional-group tolerance, and can be scaled up. Touch base: A transition-metal-free protocol for the synthesis of α-aryl esters and nitriles by deaminative coupling is presented. Strong bases and transition-metal catalysts are not needed. The new synthetic method uses readily available starting materials and demonstrates wide substrate scope.

Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors

The present invention relates to 5-lipoxygenase inhibitors of formula I. Compounds disclosed herein can be useful in the treatment of bronchial asthma, chronic obstructive pulmonary disorder, arthritis, type 1 diabetes, multiple sclerosis, allograft rejection, psoriasis, inflammatory bowel disease, ulcerative colitis, acne, atherosclerosis, cancer, pruritis, urticaria, atopic dermatitis, allergic rhinitis, other inflammatory and autoimmune diseases. Processes for the preparation of disclosed compounds, pharmaceutical compositions containing the disclosed compounds and their use as 5-lipoxygenase inhibitors are also provided.