2-(Trifluoroacetoxy)acrylonitrile

Base Information

• Chemical Name: 2-(Trifluoroacetoxy)acrylonitrile
• CAS No.: 400-55-5
• Molecular Formula: C₅H₂F₃NO₂
• Molecular Weight: 165.072
• DSSTox Substance ID: DTXSID201287679
• Nikkaji Number: J800.588E
• Mol file: 400-55-5.mol

Synonyms:2-(Trifluoroacetoxy)acrylonitrile;400-55-5;1-cyanoethenyl 2,2,2-trifluoroacetate;SVJDCAYIMPHGJL-UHFFFAOYSA-N;DTXSID201287679

Chemical Property of 2-(Trifluoroacetoxy)acrylonitrile

Chemical Property:

• PSA: 50.09000
• LogP: 1.12918
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 165.00376279
• Heavy Atom Count: 11
• Complexity: 234

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C(C#N)OC(=O)C(F)(F)F