71682-96-7

Basic information

• Product Name: 2,5-DIFLUOROBENZOYLACETONITRILE
• Synonyms: 2,5-DIFLUOROBENZOYLACETONITRILE;3-(2',5'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE;2,5-DIFLUORO-BETA-OXO-BENZENEPROPANENITRILE;UKRORGSYN-BB BBV-068048;2,5-Difluoro-b-oxo-benzenepropanenitrile
• CAS NO: 71682-96-7
• Molecular Formula: C₉H₅F₂NO
• Molecular Weight: 181.14
• Mol File: 71682-96-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 303.6 °C at 760 mmHg
• Flash Point: 137.4 °C
• Appearance: /
• Density: 1.3 g/cm³
• Vapor Pressure: 0.000918mmHg at 25°C
• Refractive Index: 1.497
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2,5-DIFLUOROBENZOYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIFLUOROBENZOYLACETONITRILE(71682-96-7)
• EPA Substance Registry System: 2,5-DIFLUOROBENZOYLACETONITRILE(71682-96-7)

Safety Data

• Hazardous Substances Data: 71682-96-7(Hazardous Substances Data)

Usage

Uses

2,5-Difluorobenzoylacetonitrile is a reactant in the preparation of 3-substituted (5-arylfuran-2-ylcarbonyl)guanidines as NHE-1 inhibitors.

InChI:InChI=1/C9H5F2NO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5H,3H2

Upstream product

• 143-33-9 sodium cyanide 
• 258513-41-6 2-bromo-1-(2,5-difluorophenyl)ethanone 
• 75-05-8 acetonitrile 
• 1979-36-8 2',5'-difluoroacetophenone 
• 540-36-3 para-difluorobenzene 
• 75-36-5 acetyl chloride 

Downstream Products

• 934340-23-5 C₁₂H₉F₂NO₃ 

Relevant articles and documents

Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity

The essential eukaryotic chaperone Hsp90 regulates the form and function of diverse client proteins, many of which govern thermotolerance, virulence, and drug resistance in fungal species. However, use of Hsp90 inhibitors as antifungal therapeutics has be

Potential antiarthritic agents. II. Benzoylacetonitriles and β-aminocinnamonitriles

Benzoylacetonitrile and β-aminocinnamonitrile are shown to possess potent intiinflammatory activity in the rat adjuvant arthritis model. In a series of phenyl-substituted analogues, only o-, m-, and p-fluorobenzoylacetonitrile and m- and p-fluoro-β-aminocinnamonitrile retained activity. Additionally, β-amino-2- and β-amino-3-thiopheneacrylonitrile and β-oxo-2- and β-oxo-3-thiophenepropionitrile exhibited similar activity. These agents are not believed to be acting via prostaglandin synthetase inhibition. The metabolic profile of benzoylacetonitrile is also described.