4-(Hydroxyamino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
Basic information
- CAS
66266-83-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1NO- InChIKey
YUFVPYWFFFVWSA-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.0851266
Names & identifiers
- Preferred name
- 4-(Hydroxyamino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
- IUPAC
- 4-(hydroxyamino)-5-methyl-2-phenyl-4H-pyrazol-3-one
Names & synonyms
4-(Hydroxyamino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one66266-83-94-(hydroxyamino)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
66266-83-9- PubChem CID
- 4152228
- EC Number
- 119-569-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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