4-Isocyanato-1-(trifluoroacetyl)piperidine

Base Information

• Chemical Name: 4-Isocyanato-1-(trifluoroacetyl)piperidine
• CAS No.: 493036-44-5
• Molecular Formula: C8H9F3N2O2
• Molecular Weight: 222.16400
• Hs Code.: 2933399090
• European Community (EC) Number: 812-354-0
• DSSTox Substance ID: DTXSID50381215
• Mol file: 493036-44-5.mol

Synonyms:4-Isocyanato-1-(trifluoroacetyl)piperidine;493036-44-5;2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone;n-(trifluoroacetyl)piperidine-4-isocyanate;SCHEMBL1130542;DTXSID50381215;4-isocyanatotrifluoroacetylpiperidine;MFCD03424490;AKOS015853776;Piperidine,4-isocyanato-1-(trifluoroacetyl)-(9ci);2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethan-1-one

Chemical Property of 4-Isocyanato-1-(trifluoroacetyl)piperidine

Chemical Property:

• Melting Point: 122～125℃
• Boiling Point: 97～99℃/0.5mm
• PKA: -2.76±0.40(Predicted)
• PSA: 49.74000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 0.81340
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 222.06161202
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

98%min ^*data from raw suppliers

4-Isocyanato-1-(trifluoroacetyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N=C=O)C(=O)C(F)(F)F