303062
3-Methyl-3-pyrazolin-5-one
98%
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About This Item
Empirical Formula (Hill Notation):
C4H6N2O
CAS Number:
Molecular Weight:
98.10
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
SMILES string
CC1=CC(=O)NN1
InChI key
WGVHNCAJPFIFCR-UHFFFAOYSA-N
assay
98%
mp
223-225 °C (lit.)
solubility
1 M NH4OH: soluble 25 mg/mL, clear, colorless (in methanol)
General description
3-Methyl-3-pyrazolin-5-one is an intermediate in the synthesis of heterocyclic compounds. Crystal structure of 3-methyl-3-pyrazolin-5-one was studied.
Application
3-Methyl-3-pyrazolin-5-one was used in the preparation of substituted 4-alkyl(cycloalkyl)-2-amino-3-cyano-4H-pyrans.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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The crystal and molecular structure of 3-methyl-3-pyrazolin-5-one.
De Camp WH and Stewart JM.
Acta Crystallographica Section B, Structural Science, 27(6), 1227-1232 (1971)
Aliphatic aldehydes in the synthesis of condensed 4-alkyl (cycloalkyl)-2-amino-3-cyano-4H-pyrans.
Klokol GV, et al.
Chemistry of Heterocyclic Compounds, 35(10), 1183-1186 (1999)
3-Methyl-3-pyrazolin-5-one.
Zhang Z, et al.
Acta Crystallographica Section E, Structure Reports Online, 60(2), o315-o316 (2004)
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