82127-03-5

Basic information

• Product Name: 3-(4-fluorophenyl-3-oxo-1-(2-thienyl)propyl)propanedinitrile
• Synonyms: 3-(4-fluorophenyl-3-oxo-1-(2-thienyl)propyl)propanedinitrile
• CAS NO: 82127-03-5
• Molecular Weight: 298.341
• Mol File: 82127-03-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-(4-fluorophenyl-3-oxo-1-(2-thienyl)propyl)propanedinitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-fluorophenyl-3-oxo-1-(2-thienyl)propyl)propanedinitrile(82127-03-5)
• EPA Substance Registry System: 3-(4-fluorophenyl-3-oxo-1-(2-thienyl)propyl)propanedinitrile(82127-03-5)

Safety Data

• Hazardous Substances Data: 82127-03-5(Hazardous Substances Data)

Upstream product

• 109-77-3 malononitrile 
• 367-00-0 3-(4-fluorophenyl)-1-(thiophen-2-yl)-2-propen-1-one 
• 326-91-0 1,1,1-trifluoro-4-(2-thienyl)butane-2,4-dione 
• 2826-22-4 4-fluorobenzylidenemalononitrile 

Downstream Products

• 82127-14-8 4-(4-Fluoro-phenyl)-6-thiophen-2-yl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile; compound with morpholine 
• 1595291-85-2 4-(4-fluorophenyl)-2-(1-piperidinyl)-6-(2-thienyl)-3-pyridinecarbonitrile 
• 82127-08-0 2-bromo-4-(4-fluorophenyl)-6-(2-thienyl)-3-pyridinecarbonitrile 

Relevant articles and documents

Synthesis, bioassay, and molecular field topology analysis of diverse vasodilatory heterocycles

A diverse training set composed of 76 in-house synthesized and 61 collected from the literature was subjected to molecular field topology analysis. This resulted in a high-quality quantitative structure-activity relationships model (R2 = 0.932,