3,4,5-Trifluorobenzoylacetonitrile

Base Information

• Chemical Name: 3,4,5-Trifluorobenzoylacetonitrile
• CAS No.: 842140-50-5
• Molecular Formula: C9H4 F3 N O
• Molecular Weight: 199.12900
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80375309
• Wikidata: Q82163843
• Mol file: 842140-50-5.mol

Synonyms:3,4,5-Trifluorobenzoylacetonitrile;842140-50-5;3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile;DTXSID80375309;MFCD06201227;AKOS012487877;SY268876;CS-0359919;FT-0604171

Chemical Property of 3,4,5-Trifluorobenzoylacetonitrile

Chemical Property:

• Vapor Pressure: 0.000277mmHg at 25°C
• Boiling Point: 322.5oC at 760 mmHg
• Flash Point: 148.9oC
• PSA: 40.86000
• Density: 1.387g/cm3
• LogP: 2.20028
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 199.02449824
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

98% ^*data from raw suppliers

3,4,5-TRIFLUOROBENZOYLACETONITRILE ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)CC#N