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About This Item
Empirical Formula (Hill Notation):
C4H6N2O
CAS Number:
Molecular Weight:
98.10
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
mp
223-225 °C (lit.)
solubility
1 M NH4OH: soluble 25 mg/mL, clear, colorless (in methanol)
SMILES string
CC1=CC(=O)NN1
InChI
1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
InChI key
WGVHNCAJPFIFCR-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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3-Methyl-3-pyrazolin-5-one.
Zhang Z, et al.
Acta Crystallographica Section E, Structure Reports Online, 60(2), o315-o316 (2004)
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)
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