3-BROMO-4-CHLOROBENZONITRILE

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3-BROMO-4-CHLOROBENZONITRILE Basic information
Uses
Product Name:3-BROMO-4-CHLOROBENZONITRILE
Synonyms:3-BROMO-4-CHLOROBENZONITRILE;3-broMo -4-benzene nitrile;3-Bromo-4-Chlorobenzinitrle;Benzonitrile, 3-bromo-4-chloro-
CAS:948549-53-9
MF:C7H3BrClN
MW:216.46
EINECS:
Product Categories:
Mol File:948549-53-9.mol
3-BROMO-4-CHLOROBENZONITRILE Structure
3-BROMO-4-CHLOROBENZONITRILE Chemical Properties
Boiling point 260.2±20.0 °C(Predicted)
density 1.74±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
AppearanceWhite to off-white Solid
InChIInChI=1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChIKeyGTTSCQCUEKBTNZ-UHFFFAOYSA-N
SMILESC(#N)C1=CC=C(Cl)C(Br)=C1
Safety Information
Hazard Codes Xn
Risk Statements 22
HazardClass IRRITANT
HS Code 2926907090
MSDS Information
3-BROMO-4-CHLOROBENZONITRILE Usage And Synthesis
Uses3-Bromo-4-chlorobenzonitrile is a pharmaceutical intermediate obtained by bromination of 4-chlorobenzonitrile. 3-Bromo-4-chlorobenzonitrile can be used to prepare 2-(3-cyano-4-(4-cyanophenyl)phenyl)-4-methyl-1,3-seleno-5-carboxylic acid, a compound used for the treatment and/or prevention of hyperuricemia, as well as for treating gout, arthritis, or heart failure caused by hyperuricemia.
Chemical PropertiesOff-white crystalline
Synthesis
4-Chlorobenzonitrile

623-03-0

3-BROMO-4-CHLOROBENZONITRILE

948549-53-9

General procedure for the synthesis of 3-bromo-4-chlorobenzonitrile from p-chlorobenzonitrile: 5-chlorobenzonitrile (5 g, 3.63 mmol) was added to 100 mL of 70% sulfuric acid solution, and potassium bromate (6.5 g, 5.98 mmol) was added slowly under stirring conditions. After the addition was completed, the reaction was continued with stirring at room temperature for 4 hours. At the end of the reaction, the product was collected by filtration and dried to give a white solid (5.5 g). The product was analyzed by gas chromatography (GC) with 98% purity and 70% yield.

References[1] Patent: CN103524456, 2016, B. Location in patent: Paragraph 0053; 0055; 0057-0059
3-BROMO-4-CHLOROBENZONITRILE Preparation Products And Raw materials
Raw materials2-BROMO-4-CHLOROBENZONITRILE-->4-Chlorobenzonitrile
Tag:3-BROMO-4-CHLOROBENZONITRILE(948549-53-9) Related Product Information
ANION STANDARD - BROMIDE 3-DroMo-9,9'-spirobifluorene 3,4-Dichlorobenzonitrile