3-Bromo-2-thiophenecarboxylic acid

Basic Information

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CAS Number

83513-60-4

Molecular Formula

C5H3BrO2S

Molecular Weight

207.05 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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c1csc(c1Br)C(=O)O

InChI

InChI=1S/C5H3BrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)

InChIKey

VQQLWBUTTMNMFT-UHFFFAOYSA-N

LogP

2.2088

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

Lactofen
2-Ethoxy-1-methyl-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate
Ethyl O-[5-(2-chloro-α,α,α-trifluoro-p-tolyloxy)-2-nitrobenzoyl]-DL-lactate

MDL Number

MFCD01632761

FAQ

What regulatory guidelines apply to 3-Bromo-2-thiophenecarboxylic acid (CAS: 83513-60-4)?

3-Bromo-2-thiophenecarboxylic acid (CAS: 83513-60-4) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. In the EU, it falls under the REACH regulations, requiring registration for quantities over 1 ton per year. FDA and EPA also have specific requirements for handling and disposal, emphasizing the importance of proper labeling and documentation for transport and storage.

Are there alternatives to 3-Bromo-2-thiophenecarboxylic acid in synthesis?

In the synthesis of 3-bromo-2-thiophenecarboxylic acid, alternatives such as bromoanilines or other thiophene derivatives can be used. Common substitutes include 2-bromothiophene, which can be further derivatized to form carboxylic acids. These alternatives can offer similar functionality but with different reactivity and synthetic routes.

What is the market or research trend for 3-Bromo-2-thiophenecarboxylic acid?

The market for 3-bromo-2-thiophenecarboxylic acid is growing due to its use in pharmaceuticals and materials science. Research trends are focusing on its application in the development of new drugs and as a precursor in organic synthesis. Current price trends suggest a stable market, with increasing demand from academic and industrial research.

How should waste containing 3-Bromo-2-thiophenecarboxylic acid be handled?

Waste containing 3-bromo-2-thiophenecarboxylic acid (CAS: 83513-60-4) should be collected in appropriate containers and disposed of according to local regulations. Incineration or professional waste disposal services are recommended. Ensure that all waste is properly labeled, and environmental protection precautions such as neutralization of acidic waste are taken to prevent contamination of the environment.