303062

Sigma-Aldrich

3-Methyl-3-pyrazolin-5-one

98%

Empirical Formula (Hill Notation):
C4H6N2O
CAS Number:
Molecular Weight:
98.10
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

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.

Packaging

25 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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