Basic information
- CAS
333363-79-4- Standard SMILES
FC(F)(F)c1ccnn1-c1ccccc1- InChIKey
BLXJKGWWZMVMKJ-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2
- Average molar mass
- 212.17 g/mol
- Monoisotopic mass
- 212.05613288
Names & identifiers
- Preferred name
- 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 1-phenyl-5-(trifluoromethyl)pyrazole
- English name
- 5-(Trifluoromethyl)-1-phenyl-1H-pyrazole
- Molecular formula
- C10H7F3N2
- Molecular weight
- 212.17
Names & synonyms
1-phenyl-5-(trifluoromethyl)-1H-pyrazole333363-79-4DTXSID10573694RefChem:233186DTXCID305244661-phenyl-5-(trifluoromethyl)pyrazole5-trifluoromethyl-1-phenyl-1h-pyrazoleSCHEMBL219809SCHEMBL885559SCHEMBL4988967BLXJKGWWZMVMKJ-UHFFFAOYSA-NMFCD15142939
Show more names
1H-Pyrazole, 1-phenyl-5-(trifluoromethyl)-
AKOS015901515BS-28371DB-3123245-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE
Database identifiers
- CAS
333363-79-4- PubChem CID
- 15528646
- DTXSID
DTXSID10573694- Nikkaji
- J1.803.143D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 248.4 · 248.4±35.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.19 · -3.19±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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