Basic information
- CAS
2166-34-9- Standard SMILES
O=c1cc(-c2ccccc2)c(-c2ccccc2)n[nH]1- InChIKey
IXUSMEFHLXSTAV-UHFFFAOYSA-N- Molecular formula
- C16H12N2O
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.094963
Names & identifiers
- Preferred name
- 5,6-Diphenyl-3(2H)-pyridazinone
- IUPAC
- 3,4-diphenyl-1H-pyridazin-6-one
- English name
- 5,6-diphenylpyridazin-3-one
- Molecular formula
- C16H12N2O
- Molecular weight
- 248.28
Names & synonyms
5,6-Diphenylpyridazin-3-one2166-34-95,6-Dppzo5,6-diphenyl-3(2H)-pyridazinoneDTXSID70176044RefChem:912969DTXCID70985355,6-diphenyl-2,3-dihydropyridazin-3-one3,4-diphenyl-1H-pyridazin-6-oneCHEMBL113474SCHEMBL2474844SCHEMBL8808760
Show more names
IXUSMEFHLXSTAV-UHFFFAOYSA-N5,6-diphenylpyridazin-3(2h)-oneCAA166343(2H)-Pyridazinone, 5,6-diphenyl-AKOS006150933CCG-335843DB-206479EN300-138391
Database identifiers
- CAS
2166-34-9- PubChem CID
- 150976
- DTXSID
DTXSID70176044- ChEMBL
CHEMBL113474- EC Number
- 188-554-0
- Nikkaji
- J1.531.277G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 217 · 217-218 °C
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
5 records
Compound notes
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