Dimidazon
Basic information
- CAS
3295-78-1- Standard SMILES
COc1cnn(-c2ccccc2)c(=O)c1OC- InChIKey
NEFZKJCNHBXWLP-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- Dimidazon
- IUPAC
- 4,5-dimethoxy-2-phenylpyridazin-3-one
- English name
- 4,5-Dimethoxy-2-phenylpyridazin-3(2H)-one
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
Dimidazon3295-78-1Dimidazon [ISO]4,5-dimethoxy-2-phenylpyridazin-3(2H)-oneUNII-5AM45V743J5AM45V743J3(2H)-Pyridazinone, 4,5-dimethoxy-2-phenyl-BAS-29095DTXSID8074998BAS 290951-PHENYL-4,5-DIMETHOXYPYRIDAZ-6-ONE4,5-DIMETHOXY-2-PHENYL-3(2H)-PYRIDAZINONE
Show more names
BAS-255H
RefChem:134404DTXCID10386124,5-dimethoxy-2-phenylpyridazin-3-oneMLS001049292SCHEMBL140231orb3136333CHEMBL1710553HMS1581N22
Database identifiers
- CAS
3295-78-1- PubChem CID
- 768265
- DTXSID
DTXSID8074998- ChEMBL
CHEMBL1710553- UNII
- 5AM45V743J
- Nikkaji
- J22.303D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility32.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 389.8 · 389.8±52.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- -0.89 · -0.89±0.20(Predicted)
- FDA UNII
- 5 AM45V743J · 5AM45V743J
- EPA Substance Registry System
- Dimidazon (3295-78-1)
Chemistry & industry
Applications
UsesDimidazon is used in pesticidal combinations.
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Related reactions
1 records
Compound notes
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