5-Chloro-2-(trifluoromethyl)nicotinic acid

Basic Information

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CAS Number

823222-02-2

Molecular Formula

C7H3ClF3NO2

Molecular Weight

225.55 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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c1c(cnc(c1C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C7H3ClF3NO2/c8-3-1-4(6(13)14)5(12-2-3)7(9,10)11/h1-2H,(H,13,14)

InChIKey

SWAUZBSMIIDEMA-UHFFFAOYSA-N

LogP

2.452

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

3-Pyridinecarboxylic acid, 5-chloro-2-(trifluoromethyl)-
5-chloro-2-(trifluoromethyl)nicotinic acid
5-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
5-Chloro-2-trifluoromethyl-nicotinic acid

MDL Number

MFCD10698577

FAQ

What are the physical and chemical properties of 5-Chloro-2-(trifluoromethyl)nicotinic acid (CAS: 823222-02-2)?

5-Chloro-2-(trifluoromethyl)nicotinic acid is a crystalline solid with a molecular weight of approximately 262.02 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. Chemically, it is relatively stable but can react with bases to form salts. It is also sensitive to moisture and should be stored in a sealed container.

How is 5-Chloro-2-(trifluoromethyl)nicotinic acid (CAS: 823222-02-2) typically synthesized?

5-Chloro-2-(trifluoromethyl)nicotinic acid is typically synthesized via acylation of 2-chloronicotinic acid with trifluoromethyl chloride. This process often involves the use of a Lewis acid catalyst and is carried out under anhydrous conditions to prevent side reactions. The yield is generally good, and the product can be purified by recrystallization.

What industries use 5-Chloro-2-(trifluoromethyl)nicotinic acid (CAS: 823222-02-2)?

5-Chloro-2-(trifluoromethyl)nicotinic acid is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring specific functional groups. It is also used in the chemical industry for the production of农药、聚合物和传感器等。此外，该化合物在半导体领域也有应用，用于制造具有特定性能的材料。

What precautions should be taken when handling 5-Chloro-2-(trifluoromethyl)nicotinic acid (CAS: 823222-02-2)?

When handling 5-Chloro-2-(trifluoromethyl)nicotinic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be done in a well-ventilated fume hood or a chemical fume exhaust system. Spills should be cleaned up immediately using appropriate materials, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.