3-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile

Base Information

• Chemical Name: 3-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile
• CAS No.: 175276-72-9
• Molecular Formula: C9H6 F3 N O2
• Molecular Weight: 217.14
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID30938640
• Wikidata: Q82915015
• Mol file: 175276-72-9.mol

Synonyms:5-Methyl-2-(Trifluoromethyl)Furo-3-Ylacetonitrile;3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile;3-(5-methyl-2-(trifluoromethyl)furan-3-yl)-3-oxopropanenitrile;3-(Cyanoacetyl)-5-methyl-2-(trifluoromethyl)furan;3-[5-methyl-2-(trifluoromethyl)-3-furyl]-3-oxopropanenitrile;Maybridge1_008411;SCHEMBL923337;HMS565G07;3-Furanpropanenitrile,5-methyl-b-oxo-2-(trifluoromethyl)-;DTXSID30938640;FJIIDKSIRKJEOJ-UHFFFAOYSA-N;CCG-47483;MFCD00277690;AKOS015912206;FS-1174;CS-0313672;SR-01000637092-1;3-(5-methyl-2-trifluoromethylfuran-3-yl)-3-oxopropionitrile

Chemical Property of 3-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile

Chemical Property:

• Vapor Pressure: 0.000447mmHg at 25°C
• Melting Point: 75 °C
• Boiling Point: 315.1°Cat760mmHg
• PKA: 6.39±0.10(Predicted)
• Flash Point: 144.4°C
• PSA: 54.00000
• Density: 1.328g/cm³
• LogP: 2.70318
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 217.03506292
• Heavy Atom Count: 15
• Complexity: 304

Purity/Quality:

98%min ^*data from raw suppliers

3-(5-methyl-2-trifluoromethylfuran-3-yl)-3-oxopropionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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