3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole

Base Information

• Chemical Name: 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole
• CAS No.: 243659-12-3
• Molecular Formula: C12H5F17N2
• Molecular Weight: 500.15
• DSSTox Substance ID: DTXSID20379987
• Wikidata: Q82170016
• Mol file: 243659-12-3.mol

Synonyms:243659-12-3;5-Methyl-3-(perfluorooctyl)pyrazole;3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole;3-(HEPTADECAFLUORO-1-OCTYL)-5-(METHYL)PYRAZOLE;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-methyl-1H-pyrazole;5(3)-Methyl-3(5)-(perfluorooctyl)pyrazole;3-(PERFLUORO-N-OCTYL)-5-(METHYL)PYRAZOLE;DTXSID20379987;MFCD00155801;AKOS016015293;3-(Perfluoro-n-octyl)-5-methylpyrazole;5-methyl-3-(perfluorooctyl)-1H-pyrazole

Chemical Property of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole

Chemical Property:

• Boiling Point: 261.6±40.0 °C(Predicted)
• PKA: 11.30±0.10(Predicted)
• PSA: 28.68000
• Density: 1.651±0.06 g/cm3(Predicted)
• LogP: 6.18400
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 7
• Exact Mass: 500.0181269
• Heavy Atom Count: 31
• Complexity: 667

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-3-(perfluorooctyl)pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F