1H-Pyrazol-1-ylacetaldehyde

Basic Information

View in Editor

CAS Number

99310-58-4

Molecular Formula

C5H6N2O

Molecular Weight

110.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

SMILES

View in Editor

C1=CN(N=C1)CC=O

InChI

InChI=1S/C5H6N2O/c8-5-4-7-3-1-2-6-7/h1-3,5H,4H2

InChIKey

DTMJPJSVODULDM-UHFFFAOYSA-N

LogP

0.08200000000000007

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

84.5

Synonyms & References

English

(1H-Pyrazol-1-yl)acetaldehyde
EN300-1258644
DTXSID70609140
99310-58-4
BB 0259239
AKOS011008902
SCHEMBL2405207
1H-pyrazol-1-ylacetaldehyde
2-pyrazol-1-ylacetaldehyde
2-(1H-pyrazol-1-yl)acetaldehyde
F8882-6909
2-(1H-Pyrazol-1-yl)acetaldehyde
1H-PYRAZOL-1-YLACETALDEHYDE
1H-Pyrazol-1-ylacetaldehyde hydrochloride

MDL Number

MFCD04969644

FAQ

What are the physical and chemical properties of 1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4)?

1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4) is a colorless liquid with a molecular weight of approximately 112.12 g/mol. It has a melting point of -84°C, boiling point of 131°C, and a density of 0.98 g/cm³. This compound is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is known for its reactivity, particularly in nucleophilic substitution and addition reactions.

How is 1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4) typically synthesized?

1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4) can be synthesized via various methods, including the condensation of pyrazole with acetaldehyde, or by the catalytic hydrogenation of pyrazine-2-carbaldehyde. Common catalysts include palladium on carbon and other transition metal complexes. The yield and selectivity are typically high, and the product can be purified by column chromatography or distillation.

What industries use 1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4)?

1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, and in the semiconductor industry for the production of organic electronic materials. It is also utilized in the development of new materials for sensors and as a precursor in polymer synthesis.

What precautions should be taken when handling 1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4)?

When handling 1H-Pyrazol-1-ylacetaldehyde (CAS: 99310-58-4), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed safety information.