1-Acetyl-3,5-bis(perfluorohexyl)pyrazole

Base Information

• Chemical Name: 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
• CAS No.: 231953-34-7
• Molecular Formula: C17H4F26N2O
• Molecular Weight: 746.18
• Hs Code.: 2933199090
• European Community (EC) Number: 671-836-7
• DSSTox Substance ID: DTXSID60370978
• Wikidata: Q82158175
• Mol file: 231953-34-7.mol

Synonyms:1-Acetyl-3,5-bis(perfluorohexyl)pyrazole;231953-34-7;1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]ethanone;1-acetyl-3,5-bis(tridecafluoro-1-hexyl)pyrazole;Ethanone, 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-;PC0838;1-acetyl-3,5-bis(tridecafluorohexyl)-1h-pyrazole;1-Acetyl-3,5-bis-(tridecafluoro-1-hexyl)pyrazole;DTXSID60370978;MFCD01075244;AKOS007930714;FS-4816;A816618;J-015026;1-(3,5-bis(perfluorohexyl)-1H-pyrazol-1-yl)ethanone;1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-pyrazolyl]ethanone

Chemical Property of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole

Chemical Property:

• PSA: 34.89000
• LogP: 8.93380
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 10
• Exact Mass: 745.9908450
• Heavy Atom Count: 46
• Complexity: 1150

Purity/Quality:

98% ^*data from raw suppliers

1-Acetyl-3,5-bis(perfluorohexyl)pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C(=CC(=N1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F