3-(2,5-Dimethylfuran-3-yl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-(2,5-Dimethylfuran-3-yl)-3-oxopropanenitrile
• CAS No.: 175276-62-7
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.17
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID20384011
• Mol file: 175276-62-7.mol

Synonyms:175276-62-7;3-(2,5-dimethylfuran-3-yl)-3-oxopropanenitrile;3-(2,5-Dimethyl-3-furyl)-3-oxopropanenitrile;Maybridge1_008541;3-(2,5-Dimethylfur-3-yl)-3-oxopropanenitrile;SCHEMBL925112;HMS565M05;DTXSID20384011;MFCD00275552;AKOS000176103;PS-4642;SB61259;CS-0320802;FT-0613515;A811972;F2189-1005

Chemical Property of 3-(2,5-Dimethylfuran-3-yl)-3-oxopropanenitrile

Chemical Property:

• Vapor Pressure: 0.00109mmHg at 25°C
• Melting Point: 120 °C
• Boiling Point: 300.8°Cat760mmHg
• Flash Point: 135.7°C
• PSA: 54.00000
• Density: 1.116g/cm³
• LogP: 1.99278
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 228

Purity/Quality:

98%min ^*data from raw suppliers

3-(2,5-dimethyl-3-furyl)-3-oxopropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:
• Hazard Codes: Irritant:
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C)C(=O)CC#N