1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid

Basic Information

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CAS Number

1521806-48-3

Molecular Formula

C6H7NO4S

Molecular Weight

189.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CS(=O)(=O)n1ccc(c1)C(=O)O

InChI

InChI=1S/C6H7NO4S/c1-12(10,11)7-3-2-5(4-7)6(8)9/h2-4H,1H3,(H,8,9)

InChIKey

KGRVXGKPSGKBPR-UHFFFAOYSA-N

LogP

-0.006000000000000061

Topological Polar Surface Area

76.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

MDL Number

MFCD26600261

FAQ

What is 1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid (CAS: 1521806-48-3)?

1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid is a chemical compound with the CAS number 1521806-48-3. It is a colorless solid with a molecular formula of C6H6NO3S and a pungent odor. This compound is characterized by its acidic properties and can be used in research and pharmaceutical applications.

What are the main uses of 1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid (CAS: 1521806-48-3)?

1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid is primarily used in pharmaceutical research for the synthesis of drug candidates. It may also find applications in organic synthesis due to its unique functional groups, such as the methylsulfonyl and carboxylic acid moieties, which are valuable in various chemical transformations.

Is 1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid (CAS: 1521806-48-3) safe?

1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid is generally safe when handled with proper precautions. However, it is corrosive and can irritate the skin and eyes. Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Avoid ingestion and direct contact with the compound.

How should 1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid (CAS: 1521806-48-3) be stored?

1-(Methylsulfonyl)-1H-pyrrole-3-carboxylic acid should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed, acid-resistant container. The storage temperature should be below 25°C to prevent degradation. Avoid exposure to heat and ensure good ventilation in the storage area.