{2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid | CAS No. 13459-62-6

{2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid

Basic Information

CAS Number

13459-62-6

Molecular Formula

C14H11ClO2S

Molecular Weight

278.75 g/mol

AD

Basic Physical Properties

Melting Point

116 ºC

c1ccc(c(c1)CC(=O)O)Sc2ccc(cc2)Cl

InChI

InChI=1S/C14H11ClO2S/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)

InChIKey

WZICWIASCZNZHO-UHFFFAOYSA-N

LogP

4.118300000000002

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

  • 2-(2-((4-chlorophenyl)thio)phenyl)acetic acid
  • [2-[(4-Chlorophenyl)thio]phenyl]acetic acid
  • 2-[(4-Chlorophenyl)thio]benzeneacetic acid
  • Benzeneacetic acid, 2-[(4-chlorophenyl)thio]-

MDL Number

MFCD04107422

FAQ

What are the physical and chemical properties of {2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid (CAS: 13459-62-6)?

{2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid is a white to light yellow crystalline solid with a molecular weight of 315.65 g/mol. It is slightly soluble in water and has good solubility in organic solvents like methanol and ethyl acetate. This compound is known for its moderate reactivity, especially with nucleophiles, and is stable under normal conditions but should be stored away from strong acids and bases.

How is {2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid (CAS: 13459-62-6) typically synthesized?

The synthesis of {2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid involves the reaction of 4-chlorophenyl thiol with 2-bromoacetic acid in the presence of a base such as potassium carbonate. The reaction typically requires a solvent like dimethylformamide (DMF) and proceeds with high selectivity and good yield under basic conditions.

What industries use {2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid (CAS: 13459-62-6)?

{2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid is used in the pharmaceutical industry for the development of certain drugs, in the chemical industry for the production of polymers and sensors, and in the semiconductor industry for specific applications requiring this particular chemical structure.

What precautions should be taken when handling {2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid (CAS: 13459-62-6)?

When handling {2-[(4-Chlorophenyl)sulfanyl]phenyl}acetic acid, it is advisable to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to avoid inhalation. In case of a spill, it should be cleaned up carefully using appropriate absorbent materials, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.

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