Ethyl 5-bromo-1H-pyrrole-2-carboxylate

Basic Information

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CAS Number

740813-37-0

Molecular Formula

C7H8BrNO2

Molecular Weight

218.05 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

Melting Point

93-94℃ (ethyl acetate ligroine )

SMILES

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CCOC(=O)C1=CC=C(N1)Br

InChI

InChI=1S/C7H8BrNO2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2H2,1H3

InChIKey

MAWSPHLRAHWQKY-UHFFFAOYSA-N

LogP

1.9539

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

151

Synonyms & References

English

MAWSPHLRAHWQKY-UHFFFAOYSA-N
1H-Pyrrole-2-carboxylic acid, 5-bromo-, ethyl ester
5-bromo-1H-pyrrole-2-carboxylic acid ethyl ester
MB19810
Ethyl5-bromo-1H-pyrrole-2-carboxylate
AKOS016002743
740813-37-0
Ethyl 5-bromo-1H-pyrrole-2-carboxylate
Z1269164038
A865967
AS-40939
FT-0722323
EN300-107220
DTXSID60732390
SCHEMBL426297
ethyl 5-bromo-1H-pyrrole-2-carboxylate

MDL Number

MFCD16996077

FAQ

What regulatory guidelines apply to Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0)?

Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0) falls under the scope of the REACH regulations in the European Union, which requires manufacturers and importers to register substances above a certain tonnage threshold. Additionally, it is important to follow GHS (Globally Harmonized System of Classification and Labeling of Chemicals) guidelines for hazard communication, including safety data sheets (SDS) and appropriate labeling. FDA and EPA regulations may also apply for its use in certain industries or applications.

Are there alternatives to Ethyl 5-bromo-1H-pyrrole-2-carboxylate in synthesis (CAS: 740813-37-0)?

While Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0) is a specific reagent used in organic synthesis, alternatives include bromopyrrole derivatives with different substituents. For instance, bromopyrroles with alkyl groups other than ethyl, or other heterocyclic compounds like pyridines or furans, can serve similar purposes in various reactions. These alternatives can be chosen based on the specific requirements of the synthetic pathway or the desired product properties.

What is the market or research trend for Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0)?

The market for Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0) is primarily driven by its use in pharmaceutical and agrochemical industries. Research trends indicate a growing interest in developing biologically active compounds and novel drug candidates, which has increased demand for this compound. Additionally, there is an ongoing exploration of its use in materials science and as a precursor in other synthetic pathways, reflecting a trend towards diversified applications and sustainable chemistry.

How should waste containing Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0) be handled?

Waste containing Ethyl 5-bromo-1H-pyrrole-2-carboxylate (CAS: 740813-37-0) should be collected and disposed of in accordance with local and international hazardous waste regulations. Proper incineration or professional waste disposal services are recommended to ensure safety and environmental protection. Precautions include the use of appropriate personal protective equipment and the implementation of proper containment to prevent spillage and exposure. It is crucial to follow all relevant safety guidelines and consult local authorities for specific disposal procedures.