4,5-Dichloro-3-methylthiophene-2-carboxylic acid | CAS No. 854626-34-9

4,5-Dichloro-3-methylthiophene-2-carboxylic acid

Basic Information

CAS Number

854626-34-9

Molecular Formula

C6H4Cl2O2S

Molecular Weight

211.07 g/mol

AD

Basic Physical Properties

CC1=C(SC(=C1Cl)Cl)C(=O)O

InChI

InChI=1S/C6H4Cl2O2S/c1-2-3(7)5(8)11-4(2)6(9)10/h1H3,(H,9,10)

InChIKey

XZOTWSGVXFPSJX-UHFFFAOYSA-N

LogP

3.0615200000000007

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

176

Synonyms & References

English

  • 4,5-dichloro-3-methyl-2-Thiophenecarboxylic acid
  • 4,5-dichloro-3-methyl-thiophene-2-carboxylic acid
  • 4,5-Dichloro-3-methylthiophene-2-carboxylic acid
  • MFCD16038670
  • 854626-34-9
  • AS-76165
  • EN300-364435
  • D95049
  • 4,5-Dichloro-3-methylthiophene-2-carboxylicacid
  • SY221795
  • DB-076350
  • SCHEMBL21612056
  • CS-0153625

MDL Number

MFCD16038670

FAQ

What are the physical and chemical properties of 4,5-Dichloro-3-methylthiophene-2-carboxylic acid (CAS: 854626-34-9)?

4,5-Dichloro-3-methylthiophene-2-carboxylic acid is a solid at room temperature with a crystalline form. It has a molecular weight of approximately 228.04 g/mol. The compound is slightly soluble in water and has good solubility in common organic solvents such as ethanol and acetone. It is known for its high reactivity, particularly in nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 4,5-Dichloro-3-methylthiophene-2-carboxylic acid (CAS: 854626-34-9) typically synthesized?

4,5-Dichloro-3-methylthiophene-2-carboxylic acid is typically synthesized via the condensation of 3-methylthiophene-2-carboxylic acid with dichloromethane in the presence of a base such as sodium hydride. This method provides high yields and good selectivity. Other synthetic routes include the chlorination of 3-methylthiophene-2-carboxylic acid or the direct chlorination of 3-methylthiophene followed by carboxylation.

What industries use 4,5-Dichloro-3-methylthiophene-2-carboxylic acid (CAS: 854626-34-9)?

4,5-Dichloro-3-methylthiophene-2-carboxylic acid is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a monomer for the production of advanced polymers. Additionally, it is used in the sensor technology sector for the development of gas sensors and in the semiconductor industry for various chemical processes.

What precautions should be taken when handling 4,5-Dichloro-3-methylthiophene-2-carboxylic acid (CAS: 854626-34-9)?

Proper personal protective equipment (PPE) should be worn when handling 4,5-Dichloro-3-methylthiophene-2-carboxylic acid, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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