154607-01-9

Basic information

• Product Name: 4-BROMO-2-CHLOROBENZONITRILE
• Synonyms: 4-BROMO-2-CHLOROBENZONITRILE;2-CHLORO-4-BROMOBENZONITRILE
• CAS NO: 154607-01-9
• Molecular Formula: C7H3BrClN
• Molecular Weight: 216.46
• EINECS: -0
• Product Categories: Aromatic Nitriles
• Mol File: 154607-01-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 67-68°C
• Boiling Point: 142-143°C 10mm
• Flash Point: 142-143°C/10mm
• Appearance: /
• Density: 1.74 g/cm³
• Vapor Pressure: 0.00393mmHg at 25°C
• Refractive Index: 1.623
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• BRN: 3240885
• CAS DataBase Reference: 4-BROMO-2-CHLOROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-CHLOROBENZONITRILE(154607-01-9)
• EPA Substance Registry System: 4-BROMO-2-CHLOROBENZONITRILE(154607-01-9)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 154607-01-9(Hazardous Substances Data)

Usage

Chemical Properties

off-white crystalline

InChI:InChI=1/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

Upstream product

• 20925-27-3 4-amino-2-chlorobenzonitrile 
• 21402-26-6 4-bromo-3-chloroaniline 
• 108-42-9 3-chloro-aniline 
• 623-00-7 4-bromobenzenecarbonitrile 
• 62473-92-1 6-bromosaccharin 
• 10026-13-8 phosphorus pentachloride 

Downstream Products

• 874482-96-9 4-bromo-2-chloro-benzylamine hydrochloride 
• 426265-73-8 4-bromo-2-chlorobenzamide 
• 158435-41-7 4-bromo-2-chlorobenzaldehyde 
• 1126779-37-0 2-chloro-4-(1H-pyrazol-4-yl)benzonitrile 
• 1126779-15-4 tert-butyl 4-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazole-1-carboxylate 
• 1126779-17-6 2-chloro-4-[3,5-dimethyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]benzonitrile 
• 1196879-27-2 4-bromo-2-chlorobenzenecarbothioamide 
• 945233-52-3 1-(benzo[d][1,3]dioxol-5-yl)-N-(3'-chloro-4'-cyano-6-methylbiphenyl-3-yl)cyclopropanecarboxamide 
• 1297537-39-3 2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile hydrochloride 
• 1297537-37-1 2-chloro-4-(1H-pyrazol-5-yl)benzonitrile 
• 1297537-41-7 (S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile 
• 1297537-33-7 (S)-3-acetyl-N-(1-(3-(3-chloro-4-cyano-phenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-5-carboxamide 
• 1297537-95-1 (S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxamide 
• 1297538-32-9 N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-3-(1-hydroxyethyl)-1H-pyrazole-5-carboxamide 

Relevant articles and documents

Design and development of oxobenzimidazoles as novel androgen receptor antagonists

Antiandrogens are a novel class of anticancer agents that inhibit cancer cell proliferation and induce apoptosis in various cell lines. To find the lead compound from the oxobenzimidazole derivatives, receptor-ligand docking studies were initially performed using Schr?dinger software. The best fit molecules were synthesized and characterized through IR, 1H-NMR, 13C-NMR and HRMS analyses. The structure of compound (9b) was further confirmed by single-crystal XRD analysis. The cell viability of the compounds was determined by MTT assay to find IC50 values against prostate cancer and breast cancer cell lines (PC-3, LNCaP, MCF-7 and MDA-MB-231). The ADME/T property studies were performed to rationalize the inhibitory properties of these compounds. It can be concluded from the study that 9b is the most active compound from the series against PC-3 and LNCaP cell lines.