4-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
Basic information
- CAS
247220-82-2- Standard SMILES
Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1Cl- InChIKey
KOWDGPQRRXTYBE-UHFFFAOYSA-N- Molecular formula
- C8H4ClF9N2
- Average molar mass
- 334.57 g/mol
- Monoisotopic mass
- 333.9919293
Names & identifiers
- Preferred name
- 4-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
- IUPAC
- 4-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
- English name
- 4-Chloro-5(3)-methyl-3(5)-(nonafluorobutyl)pyrazole
- Molecular formula
- C8H4ClF9N2
- Molecular weight
- 334.57
Names & synonyms
247220-82-24-chloro-5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole4-Chloro-5-methyl-3-(nonafluorobutyl)pyrazole4-Chloro-5(3)-methyl-3(5)-(nonafluorobutyl)pyrazoleC8H4ClF9N24-Chloro-3-(nonafluoro-1-butyl)-5-(methyl)pyrazoleDTXSID30371492KOWDGPQRRXTYBE-UHFFFAOYSA-NMFCD00155679AKOS0252138744-chloro-5-methyl-3-(nonafluorobutyl)-1H-pyrazole1H-Pyrazole, 4-chloro-3-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
Database identifiers
- CAS
247220-82-2- PubChem CID
- 2736629
- DTXSID
DTXSID30371492
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 233.9 · 233.9±40.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.50(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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