72054-56-9

Basic information

• Product Name: 4-(2-Bromoethyl)benzonitrile
• Synonyms: 4-(2-Bromoethyl)benzonitrile;4-Cyanophenethyl bromide;p-(2-Bromoethyl)benzonitrile;p-Cyanophenethyl bromide
• CAS NO: 72054-56-9
• Molecular Formula: C₉H₈BrN
• Molecular Weight: 210.073
• Mol File: 72054-56-9.mol
• Article Data: 12

Chemical Properties

• Melting Point: 53-54℃
• Boiling Point: 290℃
• Flash Point: 129℃
• Appearance: /
• Density: 1.43
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-(2-Bromoethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-Bromoethyl)benzonitrile(72054-56-9)
• EPA Substance Registry System: 4-(2-Bromoethyl)benzonitrile(72054-56-9)

Safety Data

• Hazardous Substances Data: 72054-56-9(Hazardous Substances Data)

Usage

General Description

4-(2-Bromoethyl)benzonitrile is a chemical compound with the molecular formula C9H8BrN. It is an organic compound that consists of a benzene ring with a nitrile group and a bromoethyl group at the para position. 4-(2-Bromoethyl)benzonitrile is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is a colorless to pale yellow liquid with a faint odor, and it is sparingly soluble in water but soluble in organic solvents. 4-(2-Bromoethyl)benzonitrile is primarily used in the production of organic compounds and is considered to have low to moderate toxicity.

InChI:InChI=1/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2

Upstream product

• 69395-13-7 4-(2-hydroxyethyl)benzonitrile 
• 39232-03-6 4-(2-bromoethyl)aniline 
• 100-27-6 2-(4-nitrophenyl)ethanol 
• 104-10-9 2-(4'-aminophenyl)ethyl alcohol 
• 5339-26-4 (4-nitrophenyl)ethyl bromide 
• 7617-70-1 4-(2-Bromoethyl)benzaldehyde 
• 52062-92-7 4-(2-bromoethyl)benzoic acid 
• 103-63-9 1-phenyl-2-bromoethane 

Downstream Products

• 1199-69-5 4-(2-aminoethyl)benzoic acid 
• 83937-66-0 2-(4-cyanophenyl)-1-N,N-dimethylaminoethane 
• 82098-50-8 β-(4-Cyanphenyl)ethylacetaminomalonsaeurediethylester 
• 872056-44-5 4-(2-methylsulfanyl-ethyl)-benzonitrile 
• 791839-09-3 4-(2-methanesulfonyl-ethyl)-benzonitrile 
• 872057-00-6 4-(2-methanesulfonyl-ethyl)-thiobenzamide 
• 82098-60-0 4-(4-Cyano-phenyl)-2-(toluene-4-sulfonylamino)-butyryl chloride 
• 82098-62-2 4-(4-Cyano-phenyl)-2-(naphthalene-2-sulfonylamino)-butyryl chloride 
• 82098-61-1 4-(4-Cyano-phenyl)-2-(naphthalene-1-sulfonylamino)-butyryl chloride 
• 82098-65-5 N-[3-(4-Cyano-phenyl)-1-(pyrrolidine-1-carbonyl)-propyl]-4-methyl-benzenesulfonamide 
• 82098-67-7 4-(4-Cyano-phenyl)-N-phenyl-2-(toluene-4-sulfonylamino)-butyramide 
• 82098-66-6 N-Butyl-4-(4-cyano-phenyl)-2-(toluene-4-sulfonylamino)-butyramide 
• 82098-68-8 N-Benzyl-4-(4-cyano-phenyl)-2-(toluene-4-sulfonylamino)-butyramide 
• 82098-63-3 N-[3-(4-Cyano-phenyl)-1-(piperidine-1-carbonyl)-propyl]-4-methyl-benzenesulfonamide 

Relevant articles and documents

Structure-Activity Relationship Studies Reveal New Astemizole Analogues Active against Plasmodium falciparum in Vitro

In the context of drug repositioning and expanding the existing structure-activity relationship around astemizole (AST), a new series of analogues were designed, synthesized, and evaluated for their antiplasmodium activity. Among 46 analogues tested, compounds 21, 30, and 33 displayed high activities against asexual blood stage parasites (PfNF54 IC50 = 0.025-0.043 μM), whereas amide compound 46 additionally showed activity against late-stage gametocytes (stage IV/V; PfLG IC50 = 0.6 ± 0.1 μM) and 860-fold higher selectivity over hERG (46, SI = 43) compared to AST. Several analogues displaying high solubility (Sol > 100 μM) and low cytoxicity in the Chinese hamster ovary (SI > 148) cell line have also been identified.

Discovery of tertiary amine and indole derivatives as potent RORγt inverse agonists

A novel series of tertiary amines as retinoid-related orphan receptor gamma-t (RORγt) inverse agonists was discovered through agonist/inverse agonist conversion. The level of RORγt inhibition can be enhanced by modulating the conformational disruption of H12 in RORγt LBD. Linker exploration and rational design led to the discovery of more potent indole-based RORγt inverse agonists.

Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases

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