2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile

Base Information

• Chemical Name: 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile
• CAS No.: 771567-64-7
• Molecular Formula: C16H13N3
• Molecular Weight: 247.29
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60377346
• Mol file: 771567-64-7.mol

Synonyms:771567-64-7;2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile;2-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzylidene)malononitrile;2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methylidene]propanedinitrile;2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methylidene}propanedinitrile;2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methylene}malononitrile;DTXSID60377346;MCK100932;MFCD05663794;AKOS005070930;SB62269;6X-0707;J-505845;{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]methylidene}propanedinitrile

Chemical Property of 2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile

Chemical Property:

• Melting Point: 124-127°C
• Boiling Point: 432.9±45.0 °C(Predicted)
• PKA: -3.25±0.70(Predicted)
• PSA: 52.51000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 3.52466
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.110947427
• Heavy Atom Count: 19
• Complexity: 411

Purity/Quality:

98%min ^*data from raw suppliers

2-{[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]-methylene}malononitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C=C(C#N)C#N)C