105942-08-3

Basic information

• Product Name: 4-Bromo-2-fluorobenzonitrile
• Synonyms: 4-cyano-3-fluoro-1-broMobenzene;4-BroMo-2-fluorobenzonitrile, 97+%;4-BROMO-2-FLUOROBENZONITRILE;2-FLUORO-4-BROMOBENZONITRILE;4-Bromo-2-fluorobenzonitrile 98%;4-Bromo-2-fluorobenzonitrile98%;4-BROMO-2-FLUOROBENZONITRILE 99+%;1-Fluoro-2-cyano-5-bromobenzene
• CAS NO: 105942-08-3
• Molecular Formula: C₇H₃BrFN
• Molecular Weight: 200.01
• Product Categories: cyanide| alkyl bromide| alkyl Fluorine;Pyridines ,Halogenated Heterocycles;Fluorobenzene Series;Fluorobenzene;Aromatic Nitriles;Benzene nitrile;Miscellaneous;Bromine Compounds;Fluorine Compounds;Nitriles;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 105942-08-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 69-72 °C
• Boiling Point: 238-239°C
• Flash Point: 238-239°C
• Appearance: White to light brown/Crystalline Powder or Chunks
• Density: 1.7286 (rough estimate)
• Vapor Pressure: 0.00481mmHg at 25°C
• Refractive Index: 1.5320 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• Water Solubility: insoluble
• BRN: 4231143
• CAS DataBase Reference: 4-Bromo-2-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-2-fluorobenzonitrile(105942-08-3)
• EPA Substance Registry System: 4-Bromo-2-fluorobenzonitrile(105942-08-3)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-22-36
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 105942-08-3(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

4-Bromo-2-fluorobenzonitrile is used as a OLED intermediate, Pharmaceutical, electronic and chemical intermediate. It is used in the synthesis of heterocycles and liquid crystals.

InChI:InChI=1/C8H5BrFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2

Upstream product

• 367-24-8 4-bromo-2-fluoroaniline 
• 544-92-3 copper(I) cyanide 
• 151-50-8 potassium cyanide 
• 348-54-9 2-Fluoroaniline 
• 202865-64-3 4-bromo-2-fluorobenzaldehyde oxime 

Downstream Products

• 127667-06-5 4-Bromo-2-[cyano-(4-fluoro-phenyl)-methyl]-benzonitrile 
• 123864-93-7 3-fluoro-4'-methoxy-1,1'-biphenyl-4-carbonitrile 
• 1897-53-6 2-fluoroterephthalonitrile 
• 288067-35-6 4-bromo-2-hydroxy-benzonitrile 
• 887143-44-4 N-[1-(4-bromo-2-fluorophenyl)vinyl]acetamide 
• 404827-77-6 ethyl 3-(3-(cyclopropanecarboxamido)-1H-indazol-6-yl)benzoate 
• 330793-38-9 4-bromo-2-methoxybenzonitrile 
• 176508-81-9 4-cyano-3-fluorobenzoic acid 
• 1233541-60-0 4-Bromo-2-phenoxy-benzonitrile 
• 898803-13-9 4-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-2-fluoro-benzonitrile 
• 292621-45-5 4-bromo-2-fluorobenzamide 
• 530081-35-7 5-(4-bromo-2-fluoro-phenyl)-1H-tetrazole 
• 1020922-43-3 5-bromo-phenoxybenzonitrile 
• 268734-34-5 2-fluoro-4-(methoxycarbonyl)benzonitrile 

Relevant articles and documents

OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS

The present invention relates to certain substituted phenyl oxazolidinones and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria, for example, multiple-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms, for example, Bacterioides spp. and Clostridia spp. species, and acid fast organisms, for example, Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

Displacement of Halogen of 2-Halogeno-Substituted Benzonitriles with Carbanions. Preparation of (2-Cyanoaryl)arylacetonitriles

(2-Cyanoaryl)arylacetonitriles are obtained by displacement of halogen of 2-halobenzonitriles with phenylacetonitrile anions.The method also applies to a number of heteroaromatics with ortho-situated halogen and cyano groups and to heteroarylacetonitrile anions.The anions were generated by using potassium tert-butoxide or potassium carbonate.Calculated electron densities of the electrophilic centers reflect the reactivity in the displacement reaction.The calculations indicate that the potassium ion complexes with the cyano group of the 2-halobenzonitriles in nonpolar solvents, thus promoting competitive addition of the anion to the cyano group.Carbanions derived from acids with pKa ca. 19-23 similarly displaced the halogen of 2-halobenzonitriles.