5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid | CAS No. 37937-62-5

5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid

Basic Information

CAS Number

37937-62-5

Molecular Formula

C9H6N2O3

Molecular Weight

190.16 g/mol

AD

Basic Physical Properties

OC(=O)c1noc(n1)c2ccccc2

InChI

InChI=1S/C9H6N2O3/c12-9(13)7-10-8(14-11-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)

InChIKey

FBWZBUNNSOZSSJ-UHFFFAOYSA-N

LogP

1.4347999999999999

Topological Polar Surface Area

76.22 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

  • 5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid
  • 5-phenyl-[1,2,4]oxadiazole-3-carboxylic acid
  • 5-Phenyl-1,2,4-oxadiazol-3-carbonsaeure
  • 5-Phenyl-1,2,4-oxdiazol-carbonsaeure-(3)
  • 5-phenyl-1,2,4-oxadiazole-3-carboxylic acid

MDL Number

MFCD00974531

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 37937-62-5)?

5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid is a white crystalline solid with a molecular weight of approximately 183.22 g/mol. It is slightly soluble in water and soluble in common organic solvents. This compound is highly reactive due to the presence of the oxadiazole ring, which makes it a suitable precursor for various functional groups and derivatives. It is not flammable but can react with strong bases and acids.

How is 5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 37937-62-5) typically synthesized?

5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid is often synthesized via the reaction of 5-phenylisoxazole with carbon dioxide in the presence of a suitable solvent and catalyst. The reaction is typically carried out at elevated temperatures and pressures, leading to a high yield of the desired product with good selectivity. Common solvents include dimethylformamide (DMF), and common catalysts include potassium carbonate or sodium carbonate.

What industries use 5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 37937-62-5)?

5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid is used in a variety of industries, including pharmaceuticals, where it serves as a precursor for the synthesis of drugs and intermediates. It is also used in polymers for its thermal stability and in sensors for its ability to detect specific chemical species. Additionally, it has applications in semiconductor materials due to its unique electronic properties.

What precautions should be taken when handling 5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid (CAS: 37937-62-5)?

When handling 5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials and a spill kit. Always refer to the safety data sheet (SDS) for detailed information on storage, disposal, and emergency procedures.

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