5-Iodo-2-(trifluoromethyl)pyridine

Basic Information

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CAS Number

873107-98-3

Molecular Formula

C6H3F3IN

Molecular Weight

273 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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FC(C1=NC=C(I)C=C1)(F)F

InChI

InChI=1S/C6H3F3IN/c7-6(8,9)5-2-1-4(10)3-11-5/h1-3H

InChIKey

GBAXFWLQMVBNMV-UHFFFAOYSA-N

LogP

2.705

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

136

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Iodo-2-(trifluoromethyl)pyridine
Pyridine, 5-iodo-2-(trifluoromethyl)-
GBAXFWLQMVBNMV-UHFFFAOYSA-N
5-iodo-2-trifluoromethyl-pyridine
3812AC
5-Iodo-2-(trifluoromethyl)pyridine (ACI)

MDL Number

MFCD11226772

FAQ

What are the physical and chemical properties of 5-Iodo-2-(trifluoromethyl)pyridine (CAS: 873107-98-3)?

5-Iodo-2-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 319.03 g/mol. It has poor water solubility but is soluble in common organic solvents such as dichloromethane and acetonitrile. This compound is less reactive than its chlorine or bromine analogs but can undergo redox reactions under appropriate conditions. It is a potent electrophile and can participate in various electrophilic aromatic substitution reactions.

How is 5-Iodo-2-(trifluoromethyl)pyridine (CAS: 873107-98-3) typically synthesized?

5-Iodo-2-(trifluoromethyl)pyridine is typically synthesized by the iodination of 2-(trifluoromethyl)pyridine with iodine in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction is performed in a solvent like dichloromethane and yields a high purity product with good selectivity and moderate to high yield depending on the reaction conditions.

What industries use 5-Iodo-2-(trifluoromethyl)pyridine (CAS: 873107-98-3)?

5-Iodo-2-(trifluoromethyl)pyridine is primarily used in the pharmaceutical industry for the synthesis of intermediates and drug candidates. It is also used in the polymer industry for the modification of polymers, and in the semiconductor industry for the production of organic semiconductors. It is also explored for its application in sensors and as a reagent in organic synthesis.

What precautions should be taken when handling 5-Iodo-2-(trifluoromethyl)pyridine (CAS: 873107-98-3)?

When handling 5-Iodo-2-(trifluoromethyl)pyridine, 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 fume hood to minimize inhalation risks. Spills should be cleaned up with care using appropriate tools and materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage guidelines.