1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid | CAS No. 1006340-71-1

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid

Basic Information

CAS Number

1006340-71-1

Molecular Formula

C6H5F3N2O2

Molecular Weight

194.11 g/mol

AD

Basic Physical Properties

OC(=O)c1ccnn1CC(F)(F)F

InChI

InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-4(5(12)13)1-2-10-11/h1-2H,3H2,(H,12,13)

InChIKey

AYCDWZAEGMKZNB-UHFFFAOYSA-N

LogP

1.1436

Topological Polar Surface Area

55.12 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid
  • 1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid

MDL Number

MFCD08556230

FAQ

What are the physical and chemical properties of 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS: 1006340-71-1)?

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid is a white to off-white crystalline solid with a molecular weight of approximately 221.16 g/mol. It has a slightly acidic nature and is sparingly soluble in water. The compound is known for its reactivity with nucleophiles and its ability to form stable complexes with metal ions.

How is 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS: 1006340-71-1) typically synthesized?

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid can be synthesized through the condensation of trifluoroethylamine and 1H-pyrazole-5-carboxylic acid anhydride. This reaction is typically carried out in the presence of a catalytic amount of a Lewis acid such as aluminum trichloride to enhance the reactivity and yield. The process is exothermic and requires careful temperature control.

What industries use 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS: 1006340-71-1)?

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid is used in the pharmaceutical industry for its potential as a drug intermediate, in polymer chemistry for its ability to improve material properties, and in sensor technology for its detection capabilities. It is also considered for use in semiconductor applications due to its electronic properties.

What precautions should be taken when handling 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS: 1006340-71-1)?

When handling 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, dispose of it according to safety data sheet (SDS) guidelines and avoid contact with eyes, skin, or ingestion. Always consult the latest SDS for detailed handling information.

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