3-[3-(Trifluoromethyl)Phenyl]-1H-Pyrazole
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Basic information
- CAS
149739-48-0- Standard SMILES
FC(F)(F)c1cccc(-c2ccn[nH]2)c1- InChIKey
VHGYUJSYTDIYSS-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2
- Average molar mass
- 212.17 g/mol
- Monoisotopic mass
- 212.05613272
Names & identifiers
- Preferred name
- 3-[3-(Trifluoromethyl)Phenyl]-1H-Pyrazole
- IUPAC
- 5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
- English name
- 3-(3-TRIFLUOROMETHYLPHENYL)PYRAZOLE
- Molecular formula
- C10H7F3N2
- Molecular weight
- 212.17
Names & synonyms
149739-48-03-[3-(Trifluoromethyl)Phenyl]-1H-Pyrazole3-(3-(Trifluoromethyl)phenyl)-1H-pyrazole5-[3-(trifluoromethyl)phenyl]-1H-pyrazole3-(3-Trifluoromethylphenyl)pyrazoleMFCD009738253-[3-(trifluoromethyl)phenyl]pyrazoleSCHEMBL99662SCHEMBL4050919DTXSID90350960MFCD09860571SBB000524
Show more names
BUTTPARK 18\04-23TIMTEC-BB SBB0005243-(3-TRIFLUOROMETHYLPHENY)PYRAZOLE1H-Pyrazole, 3-[3-(trifluoromethyl)phenyl]-3-[3-(Trifluoromethyl)phenyl]-1H-pyrazole97%
AKOS005070389SY406858ST50308809H816963X-0381F005910SR-01000307253SR-01000307253-1
Database identifiers
- CAS
149739-48-0- PubChem CID
- 688700
- DTXSID
DTXSID90350960- Nikkaji
- J880.974G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 78 · 78-79°
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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