5,5,5-Trifluoro-2-oxopentanoic acid

Base Information

• Chemical Name: 5,5,5-Trifluoro-2-oxopentanoic acid
• CAS No.: 118311-18-5
• Molecular Formula: C5H5F3O3
• Molecular Weight: 170.088
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00558399
• Wikidata: Q72513164
• Mol file: 118311-18-5.mol

Synonyms:5,5,5-Trifluoro-2-oxopentanoic acid;118311-18-5;SCHEMBL311383;DTXSID00558399;5,5,5-Trifluoro-2-oxopentanoicacid;AKOS006318458

Chemical Property of 5,5,5-Trifluoro-2-oxopentanoic acid

Chemical Property:

• Boiling Point: 165℃
• PKA: 2.38±0.54(Predicted)
• Flash Point: 54℃
• PSA: 54.37000
• Density: 1.426
• LogP: 0.98260
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 170.01907850
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(F)(F)F)C(=O)C(=O)O
• Uses: 2-(1-Trityl-1H-imidazol-4-yl)ethanol is used in the synthetic preparation of (phenoxyalkyl)imidazoles as potent H3-receptor histamine antagonists.