Basic information
- CAS
247220-81-1- Standard SMILES
Cc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]1- InChIKey
UEWLDKAYGDLRGH-UHFFFAOYSA-N- Molecular formula
- C8H5F9N2
- Average molar mass
- 300.12 g/mol
- Monoisotopic mass
- 300.03090163
Names & identifiers
- Preferred name
- 3-(Nonafluoro-1-butyl)-5-(methyl)pyrazole
- IUPAC
- 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
- English name
- 5(3)- Methyl-3(5)-(nonafluorobutyl)pyrazole
- Molecular formula
- C8H5F9N2
- Molecular weight
- 300.12
Names & synonyms
247220-81-13-(Nonafluoro-1-butyl)-5-(methyl)pyrazoleDTXSID20379705RefChem:275758DTXCID803307315-Methyl-3-(nonafluorobutyl)pyrazole5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole5-methyl-3-(perfluorobutyl)-1H-pyrazole5(3)- Methyl-3(5)-(nonafluorobutyl)pyrazoleC8H5F9N2MFCD00155878AKOS016015271
Show more names
5- Methyl-3-(nonafluorobutyl)pyrazole1H-Pyrazole, 3-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
5-methyl-3-(nonafluorobutyl)-1H-pyrazole
Database identifiers
- CAS
247220-81-1- PubChem CID
- 2775813
- DTXSID
DTXSID20379705
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 204.3 · 204.3±40.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.10(Predicted)
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Chemistry & industry
Suppliers3 total
常州新氟化学有限公司13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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