40530-18-5

Basic information

• Product Name: 5-BROMO-2-HYDROXYBENZONITRILE
• Synonyms: BUTTPARK 20\02-76;5-BROMO-2-HYDROXYBENZONITRILE;4-BROMO-2-CYANOPHENOL;5-BROMOSALICYLONITRILE;AKOS BBS-00003099;2-HYDROXY-5-BROMOBENZONITRILE;4-Bromo-2-cyanophenol 2-Hydroxy-5-bromobenzonitrile;4-Bromo-2-cyanophenol, 5-Bromosalicylonitrile
• CAS NO: 40530-18-5
• Molecular Formula: C₇H₄BrNO
• Molecular Weight: 198.02
• EINECS: 254-958-1
• Product Categories: Aromatic Nitriles;Nitrile;Bromine Compounds;Nitriles;Phenols;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds;Building Blocks;C6 to C7;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 40530-18-5.mol
• Article Data: 20

Chemical Properties

• Melting Point: 160 °C
• Boiling Point: 282.8 °C at 760 mmHg
• Flash Point: 124.8 °C
• Appearance: /
• Density: 1.79
• Vapor Pressure: 0.00192mmHg at 25°C
• Refractive Index: 1.656
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: slightly sol. in Methanol
• PKA: 6.60±0.18(Predicted)
• CAS DataBase Reference: 5-BROMO-2-HYDROXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-2-HYDROXYBENZONITRILE(40530-18-5)
• EPA Substance Registry System: 5-BROMO-2-HYDROXYBENZONITRILE(40530-18-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39-24/25
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• Hazardous Substances Data: 40530-18-5(Hazardous Substances Data)

Usage

Chemical Properties

Off-white crystalline

InChI:InChI=1/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

Upstream product

• 13589-72-5 5-chloro-2-hydroxybenzonitrile 
• 82486-43-9 2-hydroxy-5-bromobenzaldehyde oxime 
• 1761-61-1 5-bromosalicyclaldehyde 
• 106-41-2 4-bromo-phenol 
• 68-12-2 N,N-dimethyl-formamide 
• 184970-28-3 4-bromo-2-(bromomethyl)-1-methoxybenzene 
• 14804-31-0 2-methyl-4-bromoanisole 
• 144649-99-0 5-bromo-2-methoxybenzonitrile 
• 611-20-1 salicylonitrile 
• 50-00-0 formaldehyd 

Downstream Products

• 636992-52-4 5-bromo-2-cyanomethoxy-benzonitrile 
• 636992-54-6 3-amino-5-bromo-benzofuran-2-carbonitrile 
• 1208250-16-1 5-bromo-2-(2-(tetrahydro-2H-pyran-2-yloxy)ethoxy)benzonitrile 
• 1227700-88-0 2-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile 
• 1227700-89-1 2-hydroxy-5-(2-methylbenzo[d]thiazol-5-yl)benzonitrile 
• 1139901-88-4 tert-butyl 2-(3’-cyano-4’-isobutoxyphenyl)-4-methylthiazole-5-carboxylate 
• 144060-53-7 febuxostat 
• 1365052-65-8 C₁₇H₁₃Br₂N₃O 
• 1365052-67-0 C₁₉H₁₉BrN₄O 
• 1365052-69-2 C₁₉H₁₅BrClN₃O₂ 
• 1365052-71-6 C₁₉H₁₄BrCl₂N₃O₂ 
• 1365052-74-9 C₁₉H₁₄BrClFN₃O₂ 
• 1365052-76-1 C₁₉H₁₄Br₂ClN₃O₂ 
• 1365052-77-2 C₂₁H₂₀BrClN₄O₂ 

Relevant articles and documents

Preparation method for 4-substituted piperidine derivative

The invention discloses a preparation method for a 4-substituted piperidine derivative, i.e., 4-((2-(aminomethyl)-4-bromophenoxyl)methyl)piperidine-1-t-butyl formate. According to the invention, 5-bromo-2-hydroxybenzaldehyde is used as a starting material and subjected to oximation, elimination, etherification and catalytic hydrogenation so as to prepare the target derivative. The prepared derivative is an important medical intermediate.

Utility of Nitrogen Extrusion of Azido Complexes for the Synthesis of Nitriles, Benzoxazoles, and Benzisoxazoles

The utility of the nitrogen extrusion reaction of azido complexes, generated in situ from the corresponding aldehydes or ketones with TMSN3 in the presence of ZrCl4 or TfOH, has been described. These azido complexes could undergo three different pathways, depending on the substrates. First, azido methanolate complexes or imine diazonium ions could lead to benzisoxazole products via an intramolecular nucleophilic substitution. Second, imine diazonium ions could also undergo either the elimination of proton to provide nitrile products in good to excellent yields or an aryl migration, followed by an intramolecular nucleophilic addition, to give benzoxazole products in good yields.

Heterogeneous catalytic method for the conversion of aldoximes into nitriles using molecular sieve modified with Copper(II)

A simple heterogeneous metal-catalyzed method was developed for the transformation of aldoximes into nitriles. Molecular sieve (4 A) modified with copper(II) proved to be an efficient catalyst for the conversion. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications to view the free supplemental file.