Ethyl 3-iodo-1H-pyrazole-4-carboxylate

Basic Information

View in Editor

CAS Number

827316-43-8

Molecular Formula

C6H7IN2O2

Molecular Weight

266.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

CCOC(=O)c1c[nH]nc1I

InChI

InChI=1S/C6H7IN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)

InChIKey

GCZGLIKEVZAURZ-UHFFFAOYSA-N

LogP

1.191

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

Ethyl 3-iodo-1H-pyrazole-4-carboxylate
3-Iodo-1H-pyrazole-4-carboxylic acid ethyl ester
1H-Pyrazole-4-carboxylic acid, 3-iodo-, ethyl ester
ethyl 5-iodo-1H-pyrazole-4-carboxylate
ethyl 3-iodo-1H-pyrazole-4-carboxylate

MDL Number

MFCD18072591

FAQ

What regulatory guidelines apply to Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8)?

Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8) falls under the purview of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which requires hazard communication including signal words, pictograms, and hazard statements. In the European Union, it must comply with REACH regulations, which require registration, assessment, and authorization for certain chemicals. Additionally, the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) may have specific requirements for its use, storage, and environmental handling in the context of pharmaceuticals and industrial applications.

Are there alternatives to Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8) in synthesis?

While Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8) is a specific compound, its alternatives or similar compounds include other iodinated pyrazoles or related carboxylic acids. These can serve as substitutes in synthesis depending on the reaction conditions and desired product. Common alternative reagents might include ethyl 1-iodo-3H-pyrazol-4-carboxylate or ethyl 3-iodo-5-methyl-1H-pyrazol-4-carboxylate, which can offer similar functional group transformations in organic synthesis.

What is the market or research trend for Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8)?

The market for Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8) is driven by its applications in pharmaceuticals, medicinal chemistry, and as a key intermediate in the synthesis of other compounds. Research trends are focused on its use in developing new drugs and materials, with a growing interest in its synthetic versatility and reactivity. Emerging studies are exploring its potential in drug discovery for treating various diseases, particularly its role in targeting specific receptors and enzymes.

How should waste containing Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8) be handled?

Waste containing Ethyl 3-iodo-1H-pyrazole-4-carboxylate (CAS: 827316-43-8) should be collected in appropriate containment and segregated from other waste streams. It should be stored in a compatible container, sealed to prevent spillage. For disposal, it is recommended to consult local waste management regulations, as it may need to be treated as a hazardous waste. In many cases, it should be incinerated or disposed of through a certified professional waste disposal service to minimize environmental impact and comply with safety standards.