1-Methyl-1H-pyrazol-3(2H)-one

Basic Information

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CAS Number

52867-35-3

Molecular Formula

C4H6N2O

Molecular Weight

98.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

124-128 °C

SMILES

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CN1C=CC(=O)N1

InChI

InChI=1S/C4H6N2O/c1-6-3-2-4(7)5-6/h2-3H,1H3,(H,5,7)

InChIKey

WIISOYLZJJYTHT-UHFFFAOYSA-N

LogP

-0.28660000000000013

Topological Polar Surface Area

37.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

119

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,2-dihydro-1-methyl-3H-Pyrazol-3-one
1-Methyl-1H-pyrazol-3(2H)-one
3-Hydroxy-1-methyl-1H-pyrazole
1-methyl-1,2-dihydro-pyrazol-3-one
1-methyl-3-hydroxy-1H-pyrazole
1-Methyl-3-hydroxypyrazol
3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-
3-Hydroxy-1-methylpyrazol
3-hydroxy-1-methylpyrazole
AGN-PC-008TJI
AK128505
AK-67583
KB-219185
SureCN1357553
SureCN208629
1-Methyl-1,2-dihydro-3H-pyrazol-3-one
1-Methyl-3-pyrazolone
1-Methyl-1H-pyrazol-3-ol
N-methylpyrazolone
1-methylpyrazolone
hydroxy-1-methyl-pyrazole
WIISOYLZJJYTHT-UHFFFAOYSA-N
1-Methyl-1H-Pyrazole-3(2)-one
BBL102212
STL556011
EBD2214029
3-Hydroxy-1-methylpyrazole
1-methyl-2,3-dihydro-1H-pyrazol-3-one
DTXSID90465321
EN300-123230
2-methyl-1H-pyrazol-5-one

MDL Number

MFCD21604051

FAQ

What regulatory guidelines apply to 1-Methyl-1H-pyrazol-3(2H)-one (CAS: 52867-35-3)?

1-Methyl-1H-pyrazol-3(2H)-one (CAS: 52867-35-3) falls under the scope of the REACH regulations in the European Union, which require registration of substances above a certain tonnage. It is also classified under the Globally Harmonized System (GHS) as a toxic substance. The FDA and EPA may have specific requirements for handling and storage based on its intended use in food or environmental testing applications.

Are there alternatives to 1-Methyl-1H-pyrazol-3(2H)-one in synthesis?

Yes, there are alternatives to 1-Methyl-1H-pyrazol-3(2H)-one in synthesis, such as other heterocyclic compounds like 1-ethyl-1H-pyrazol-3(2H)-one or 1-propyl-1H-pyrazol-3(2H)-one. These can serve similar functions in reactions and are often used as precursors in organic synthesis.

What is the market or research trend for 1-Methyl-1H-pyrazol-3(2H)-one (CAS: 52867-35-3)?

The market for 1-Methyl-1H-pyrazol-3(2H)-one (CAS: 52867-35-3) is growing with increasing applications in pharmaceuticals and agrochemicals due to its anti-inflammatory and antimicrobial properties. Research trends are focusing on its use as a starting material in the production of more complex compounds and its potential as a bioavailability enhancer.

How should waste containing 1-Methyl-1H-pyrazol-3(2H)-one (CAS: 52867-35-3) be handled?

Waste containing 1-Methyl-1H-pyrazol-3(2H)-one (CAS: 52867-35-3) should be collected in closed containers and stored in a cool, well-ventilated area away from heat and sources of ignition. Proper incineration or professional waste disposal services should be used to handle these wastes. Environmental protection measures, including proper containment to prevent leaks, are essential to ensure safety and compliance with regulations.