3-Phenyl-1H-pyrazol-5-ol
Basic information
- CAS
27412-71-1- Standard SMILES
O=c1cc(-c2ccccc2)[nH][nH]1- InChIKey
YLHCQNBWOZXHIR-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 3-Phenyl-1H-pyrazol-5-ol
- IUPAC
- 5-phenyl-1,2-dihydropyrazol-3-one
- English name
- 3-Hydroxy-5-phenyl-1H-pyrazole
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
3-Phenyl-1H-pyrazol-5-ol5-phenyl-1H-pyrazol-3-ol27412-71-15-phenyl-1H-pyrazol-3(2H)-one5-Phenyl-2H-pyrazol-3-ol145091-91-45203-91-83-Hydroxy-5-phenyl-1H-pyrazole5-phenyl-1,2-dihydropyrazol-3-oneMFCD00956881MFCD004621575-phenyl-1,2-dihydro-3H-pyrazol-3-one
Show more names
5-Phenyl-2,3-dihydro-1H-pyrazol-3-one1,2-DIHYDRO-5-PHENYLPYRAZOL-3-ONEZINC1333003H-Pyrazol-3-one, 1,2-dihydro-5-phenyl-5-Phenyl-1H-pyrazole-3-ol5-Phenyl-1H-pyrazole-3(2H)-one3-Phenyl-5-pyrazolon1,2-Dihydro-5-phenyl-3H-pyrazol-3-one
Database identifiers
- CAS
27412-71-1- PubChem CID
- 594763
- DTXSID
DTXSID60344154- ChEMBL
CHEMBL1381030- Nikkaji
- J1.067.780G、J88.495B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 237 °C · 237 °C
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.51 · 8.51±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 20 · 20/22
- Safety Statements
- 36 · 36/37
- HS Code
- 29331990 · 29331990
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
- 29331990
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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