Ethyl 1H-pyrazole-4-carboxylate

Basic Information

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CAS Number

37622-90-5

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

76.0 to 80.0 deg-C

Boiling Point

140°C/3mmHg

Flash Point

138-140℃/3mm

Solubility

Miscible with acetone.

Refractive Index

1.5010 (estimate)

SMILES

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CCOC(=O)C1=CNN=C1

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)

InChIKey

KACZQOKEFKFNDB-UHFFFAOYSA-N

LogP

0.5864

Topological Polar Surface Area

54.98 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

127

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Z975817026
CHEMBL4461273
FT-0601059
ethyl-1h-pyrazole-4-carboxylate
1H-Pyrazole-4-carboxylic acid ethyl ester
A6423
4-Pyrazolecarboxylic Acid Ethyl Ester
EN300-93017
MFCD00010844
Ethyl 1 H-pyrazole-4-carboxylate
ethyl 1H-pyrazol-4-carboxylate
BP-12629
DTXSID40191062
SCHEMBL369224
BCP21101
GOJ
ETHYL-4-PYRAZOLECARBOXYLATE
Ethyl 4-pyrazolecarboxylate, 99%
Ethyl 4-pyrazolecarboxylate
ethyl 4-pyrazole carboxylate
A1-08041
NS00030231
3-Ethyl-1H-pyrazole-4-carboxylic acid anion
Ethyl 1H-pyrazole-4-carboxylate;Ethyl pyrazole-4-carboxylate;4-Ethoxycarbonylpyrazole
AC-5977
37622-90-5
F1905-7158
ethyl4-pyrazolecarboxylate
4-(ethoxycarbonyl)pyrazole
BB 0257389
Ethyl 1H-pyrazole-4-carboxylate

MDL Number

MFCD00010844

Customs Code

2933199090

FAQ

What regulatory guidelines apply to Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5)?

Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and the Toxic Substances Control Act (TSCA) in the USA. Specific requirements include safety data sheets (SDS), proper labeling, and handling practices to ensure occupational exposure limits are not exceeded.

Are there alternatives to Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5) in synthesis?

In the synthesis of heterocyclic compounds, alternatives to Ethyl 1H-pyrazole-4-carboxylate include other carboxylic acid derivatives such as methyl 1H-pyrazole-4-carboxylate, or other heterocyclic intermediates like 1-ethyl-1H-pyrazole-4-carboxamide. These alternatives can provide similar functionality with varying reactivity and synthetic compatibility.

What is the market or research trend for Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5)?

The market for Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential as an intermediate for drug discovery and as a component in fungicides. Demand is expected to increase with the development of new chemical entities and the expansion of green chemistry initiatives.

How should waste containing Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5) be handled?

Waste containing Ethyl 1H-pyrazole-4-carboxylate (CAS: 37622-90-5) should be collected in a closed container and disposed of through a licensed hazardous waste facility. Proper environmental protection measures include minimizing spillage, using personal protective equipment, and ensuring the waste is in compliance with local, state, and federal regulations regarding hazardous waste management.