3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
Basic information
- CAS
4845-49-2- Standard SMILES
O=C1CC(c2ccccc2)=NN1c1ccccc1- InChIKey
MZKALFCNIJHTJG-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
- IUPAC
- 2,5-diphenyl-4H-pyrazol-3-one
- English name
- 2,4-dihydro-2,5-diphenyl-3H-Pyrazol-3-one
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
4845-49-23H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-2-Pyrazolin-5-one, 1,3-diphenyl-2,4-DIHYDRO-2,5-DIPHENYL-3H-PYRAZOL-3-ONE5-Pyrazolone, 1,3-diphenyl-EINECS 225-430-8NSC 59778AI3-16510DTXSID8063620RefChem:505775DTXCID50406232-Pyrazolin-5-one, 1,3-diphenyl-(8CI)
Show more names
1,3-Diphenyl-5(4H)-pyrazolone1,3-Diphenyl-2-pyrazolin-5-one2,5-di(phenyl)-4H-pyrazol-3-one2,5-Diphenyl-2H-pyrazole-3(4H)-one1,3-Diphenyl-1H-pyrazole-5(4H)-one2,4-dihydro-2,5-diphenyl-3h-pyrazol-3-on
1,3-diphenyl-1H-pyrazol-5(4H)-one2,5-diphenyl-4H-pyrazol-3-one1,3-Diphenylpyrazolone1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-one2,5-Diphenyl-2,4-dihydro-pyrazol-3-one2,5-Diphenyl-2,4-dihydro-3H-pyrazol-3-oneMFCD001173753H-Pyrazol-3-one,2,4-dihydro-2,5-diphenyl-
Database identifiers
- CAS
4845-49-2- PubChem CID
- 78559
- DTXSID
DTXSID8063620- ChEMBL
CHEMBL223155- UNII
- NB96PB9MBJ
- EC Number
- 225-430-8
- Nikkaji
- J37.349D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 378.73 °C · 378.73°C (rough estimate)
- Density
- 1.1099 · 1.1099 (rough estimate)
- refractive index
- 1.5906 · 1.5906 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.62 · 1.62±0.50(Predicted)
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl- (4845-49-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- TSCA
- TSCA listed
- 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.
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
16 records
Compound notes
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