1-phenyl-1H-pyrazol-4-ol
Basic information
- CAS
1076-60-4- Standard SMILES
Oc1cnn(-c2ccccc2)c1- InChIKey
PAIIFXHEHLRVNC-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Overview
1-phenyl-4-pyrazolol is a member of pyrazoles and a ring assembly.
Names & identifiers
- Preferred name
- 1-phenyl-1H-pyrazol-4-ol
- IUPAC
- 1-phenylpyrazol-4-ol
- English name
- 4-Hydroxy-1-phenylpyrazole
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
1-Phenyl-1H-pyrazol-4-olRefChem:435535851-850-11076-60-41-phenylpyrazol-4-ol4-Hydroxy-1-phenylpyrazole1-phenyl-4-pyrazololMLS000104392SMR000054327MFCD00462161A1CWL1-phenyl-1hpyrazol-4-ol
Show more names
1H-Pyrazol-4-ol, 1-phenyl-JR-14122, 1-Phenyl-1H-pyrazol-4-ol, 97%
Cambridge id 5102354cid_555359SCHEMBL2419571SCHEMBL47172291-Phenyl-1H-pyrazol-4-ol #CHEMBL1611931BDBM60403DTXSID90339316
Database identifiers
- CAS
1076-60-4- PubChem CID
- 555359
- DTXSID
DTXSID90339316- ChEMBL
CHEMBL1611931- ChEBI
CHEBI:123258- EC Number
- 851-850-1
- Nikkaji
- J1.843.962J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 309.2 · 309.2±15.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 8.86 · 8.86±0.14(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: 1-phenyl-4-pyrazolol is a member of pyrazoles and a ring assembly.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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