Basic information
- CAS
1008-79-3- Standard SMILES
O=C1CN(c2ccccc2)C=N1- InChIKey
KIWUSLOGPWBUND-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 4-Pyrazolin-3-one, 1-phenyl-
- IUPAC
- 3-phenyl-4H-imidazol-5-one
- English name
- 1-Phenyl-1H-pyrazol-3(2H)-one
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
4-Pyrazolin-3-one, 1-phenyl-1-Fenyl-3-pyrazolon [Czech]1-Phenyl-4-pyrazolin-3-one1-Fenyl-3-pyrazolon1-Fenyl-4-pyrazolin-3-on [Czech]1-Fenyl-4-pyrazolin-3-onDTXSID70143519RefChem:295986DTXCID20660101008-79-31-phenyl-1,5-dihydro-4h-imidazol-4-one3H-Pyrazol-3-one,1,2-dihydro-1-phenyl-
Show more names
1-Phenyl-3(2H)-pyrazolone2-phenyl-1H-pyrazol-5-one1-Phenyl-5H-IMidazol-4-one1-Phenyl-3-hydroxypyrazole1-Phenyl-1H-pyrazol-3(2H)-one1-Phenyl-1,2-dihydropyrazol-3-one1,2-Dihydro-1-phenyl-3H-pyrazol-3-one
160473-99-41-phenyl-4,5-dihydro-1H-imidazol-4-one3-phenyl-4H-imidazol-5-one1-phenylimidazolinoneSCHEMBL9862074SCHEMBL11464466SCHEMBL27971933CS-43638
Database identifiers
- CAS
1008-79-3- PubChem CID
- 70516
- DTXSID
DTXSID70143519
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 154 °C · 154°C
- Boiling point
- 286.07 °C · 286.07°C (rough estimate)
- Density
- 1.1846 · 1.1846 (rough estimate)
- refractive index
- 1.557 · 1.5570 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.14 · 8.14±0.70(Predicted)
- Appearance
- Light brown to khaki Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [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]
ChemeGen 中国18818260767 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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