6-chloro-4-methoxy-3(2H)-pyridazinone
Basic information
- CAS
952569-55-0- Standard SMILES
COc1cc(Cl)n[nH]c1=O- InChIKey
TTZCTTKZDVBNOH-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O2
- Average molar mass
- 160.56 g/mol
- Monoisotopic mass
- 160.0039551
Names & identifiers
- Preferred name
- 6-chloro-4-methoxy-3(2H)-pyridazinone
- IUPAC
- 3-chloro-5-methoxy-1H-pyridazin-6-one
- English name
- 6-chloro-4-methoxy-2,3-dihydropyridazin-3-one
- Molecular formula
- C5H5ClN2O2
- Molecular weight
- 160.56
Names & synonyms
952569-55-06-chloro-4-methoxy-2,3-dihydropyridazin-3-one6-Chloro-4-methoxypyridazin-3(2H)-one6-chloro-4-methoxy-3(2H)-pyridazinone3-chloro-5-methoxy-1H-pyridazin-6-oneMFCD04971423SCHEMBL22042471SCHEMBL38683870DTXSID901286515CNB56955SBB087466AKOS006292144
Show more names
SY2162563(2H)-Pyridazinone, 6-chloro-4-methoxy-6-chloro-4-methoxy-2-hydropyridazin-3-oneDB-414955EN300-301502F94263AP-786/42300031F986016
Database identifiers
- CAS
952569-55-0- PubChem CID
- 820668
- DTXSID
DTXSID901286515- EC Number
- 875-853-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- 8.74 · 8.74±0.60(Predicted)
- Appearance
- Off-white to pink Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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