4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
Basic information
- CAS
4578-58-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)CC1- InChIKey
KQVXOJQOQRTUDA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Overview
6-Methyl-2-phenyl-2,3,4,5-tetrahydropyridazin-3-one is a pyridazinone.
Names & identifiers
- Preferred name
- 4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
- IUPAC
- 6-methyl-2-phenyl-4,5-dihydropyridazin-3-one
- English name
- 4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
4,5-Dihydro-6-methyl-2-phenylpyridazin-3(2H)-oneEINECS 224-962-8DTXSID40196618NSC 50989RefChem:507759DTXCID80119109224-962-84578-58-96-Methyl-2-phenyl-4,5-dihydropyridazin-3(2H)-one6-methyl-2-phenyl-4,5-dihydropyridazin-3-oneMFCD001173616-methyl-2-phenyl-2,3,4,5-tetrahydropyridazin-3-one
Show more names
6-methyl-2-phenyl-4,5-dihydroazine-3(2H)-one4,5-DIHYDRO-6-METHYL-2-PHENYL-3(2H)-PYRIDAZINONE6-Methyl-2-phenyl-2,3,4,5-tetrahydro-3-pyridazinone2-Phenyl-6-methyl-2,3,4,5-tetrahydropyridazine-3-one
NSC6345806-Methyl-2-phenyl-4,5-dihydro-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-2-phenyl-A1CUSMaybridge1_001393CHEMBL272952-Phenyl-6-methyl-4,5-dihydropyridazine-3(2H)-oneorb3031306
Database identifiers
- CAS
4578-58-9- PubChem CID
- 78330
- DTXSID
DTXSID40196618
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 105 · 105-106 °C
- Boiling point
- 301.8 · 301.8±25.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.9 · 1.90±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 6-Methyl-2-phenyl-2,3,4,5-tetrahydropyridazin-3-one is a pyridazinone.
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Related reactions
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Compound notes
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