5,6-Diphenyl-3,4-pyridazinedicarboxylic acid
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Basic information
- CAS
253144-69-3- Standard SMILES
O=C(O)c1nnc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O- InChIKey
OGTMAZPALCADHM-UHFFFAOYSA-N- Molecular formula
- C18H12N2O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.07970687
Names & identifiers
- Preferred name
- 5,6-Diphenyl-3,4-pyridazinedicarboxylic acid
- IUPAC
- 5,6-diphenylpyridazine-3,4-dicarboxylic acid
- English name
- 5,6-DIPHENYL-3,4-PYRIDAZINEDICARBOXYLIC ACID
- Molecular formula
- C18H12N2O4
- Molecular weight
- 320.3
Names & synonyms
5,6-diphenylpyridazine-3,4-dicarboxylic Acid253144-69-35,6-diphenyl-3,4-pyridazinedicarboxylic aciddiphenylpyridazine-3,4-dicarboxylic acidMFCD030012595,6-diphenyl-pyridazine-3,4-dicarboxylic acidDTXSID00423356AKOS0050702425,6-diphenylpyridazine-3,4-dicarboxylicAcidCS-03361883R-0293Z3225738676
Show more names
3,4-Pyridazinedicarboxylic acid, 5,6-diphenyl-
Database identifiers
- CAS
253144-69-3- PubChem CID
- 6409736
- DTXSID
DTXSID00423356- Nikkaji
- J1.205.456D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 140 · 140-142°C
- Boiling point
- 555.7 · 555.7±50.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 0.89 · 0.89±0.10(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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