Methyl 1H-pyrrole-3-carboxylate

Basic Information

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CAS Number

2703-17-5

Molecular Formula

C6H7NO2

Molecular Weight

125.13 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

Melting Point

85-89 °C

Boiling Point

284 ºC

Water Solubility

Slightly soluble in water.

Flash Point

126 ºC

Refractive Index

1.527

SMILES

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COC(=O)c1cc[nH]c1

InChI

InChI=1S/C6H7NO2/c1-9-6(8)5-2-3-7-4-5/h2-4,7H,1H3

InChIKey

WLBNVSIQCFHAQB-UHFFFAOYSA-N

LogP

0.8012999999999999

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

114

Safety Information

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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

Synonyms & References

English

Methyl 1H-pyrrole-3-carboxylate
1H-Pyrrole-3-carboxylic acid, methyl ester (9CI)
1H-Pyrrole-3-carboxylicacid, methyl ester
Methyl 3-pyrrolecarboxylate
Methyl Pyrrole-3-carboxylate
METHYL-1-H-PYRROLE-3-CARBOXYLATE
Methyl 1H-pyrrole-3-carboxylat
methyl-1H-pyrrole-3-carboxylate
Pyrrol-3-carbonsaeure-methylester
pyrrole-3-carboxylic acid methyl ester
3-Methoxycarbonyl-1H-pyrrole
1H-pyrrole-3-carboxylic acid methyl ester
1H-Pyrrole-3-carboxylic acid, methyl ester
methyl1h-pyrrole-3-carboxylate
PubChem22507
MethylPyrrole-3-carboxylate
4,5-methoxy-carbonylpyrrole
methyl pyrrole 3-carboxylate
WLBNVSIQCFHAQB-
Pyrrole-3-carboxylic acid methyl ester

MDL Number

MFCD00967074

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5)?

Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5) must comply with various regulatory guidelines. Under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), it should be labeled with appropriate hazard statements and pictograms. In the European Union, it is subject to the REACH regulations, which require a safety data sheet (SDS) and registration for manufacturers and importers. Additionally, the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) have specific requirements for its handling in the United States, including proper storage and disposal methods.

Are there alternatives to Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5) in synthesis?

Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5) can be synthesized using various alternatives such as methyl 2-pyrrolecarboxylate and methyl 3-pyridinecarboxylate. These alternatives can serve as effective reagents depending on the specific chemical reactions. Furthermore, isomers of pyrrole carboxylic acids may also be considered as potential substitutes. In some cases, more environmentally friendly reagents like biocatalysts or green solvents can be used to reduce the environmental impact.

What is the market or research trend for Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5)?

The market for Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5) is growing due to its applications in the pharmaceutical and fine chemical industries. Research trends indicate an increasing focus on its use as a building block for medicinal chemistry and drug synthesis. The industry is also exploring its potential in the production of biodegradable polymers and as a precursor for other organic compounds. The market trend shows a steady increase in demand, driven by advancements in synthetic methods and the discovery of new applications.

How should waste containing Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5) be handled?

Waste containing Methyl 1H-pyrrole-3-carboxylate (CAS: 2703-17-5) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. The waste should be treated to neutralize any acidic or basic components. Incineration is a common method for waste disposal, but it must be conducted in an enclosed incinerator to prevent emissions. Alternatively, professional waste disposal services can be utilized for safe disposal. Environmental protection measures include ensuring that any liquid waste is properly neutralized and disposed of in a manner that complies with local and national regulations to minimize environmental impact.