Basic information
- CAS
247220-85-5- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)c1[nH]nc(-c2ccccc2)c1Cl- InChIKey
OGKCAMSFEKHPOJ-UHFFFAOYSA-N- Molecular formula
- C12H6ClF7N2
- Average molar mass
- 346.63 g/mol
- Monoisotopic mass
- 346.010773
Names & identifiers
- Preferred name
- 4-Chloro-3-(heptafluoropropyl)-5-phenylpyrazole
- IUPAC
- 4-chloro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-pyrazole
- English name
- 4-Chloro-3(5)-heptafluoropropyl-5(3)-phenylpyrazole
- Molecular formula
- C12H6ClF7N2
- Molecular weight
- 346.63
Names & synonyms
247220-85-54-Chloro-3-(heptafluoropropyl)-5-phenylpyrazole4-CHLORO-3-(1,1,2,2,3,3,3-HEPTAFLUOROPROPYL)-5-PHENYL-1H-PYRAZOLE4-chloro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-pyrazole4-Chloro-3(5)-heptafluoropropyl-5(3)-phenylpyrazoleC12H6ClF7N2DTXSID80371467MFCD00155668AKOS0252127314-Chloro-5-(perfluoropropyl)-3-phenyl-1H-pyrazole4-Chloro-5-(heptafluoropropyl)-3-phenyl-1H-pyrazole1H-Pyrazole, 4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenyl-
Database identifiers
- CAS
247220-85-5- PubChem CID
- 2736595
- DTXSID
DTXSID80371467
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- 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0519-85528066; 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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