2-Iodo-3-(trifluoromethyl)pyridine

Basic Information

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CAS Number

927434-20-6

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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C1=CC(=C(N=C1)I)C(F)(F)F

InChI

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

InChIKey

MXQOZXBATZOEDA-UHFFFAOYSA-N

LogP

2.705

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

136

Synonyms & References

English

2-Iodo-3-(trifluoromethyl)pyridine
3-(trifluoromethyl)-2-iodopyridine
2-Iodo-3-(trifluoromethyl)pyridine (ACI)
2-iodo(trifluoromethyl)pyridine
927434-20-6
DTXSID20661253
AKOS016008058
DA-00727
SCHEMBL12153212
PYRIDINE, 2-IODO-3-(TRIFLUOROMETHYL)-
3-(TrifluoroMethyl)-2-iodopyridine
BS-17880
AB66426
MXQOZXBATZOEDA-UHFFFAOYSA-N
CS-0119782
MFCD12922855
CMB43420

MDL Number

MFCD12922855

FAQ

What are the physical and chemical properties of 2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6)?

2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6) is a crystalline solid with a molecular weight of approximately 267.04 g/mol. It has a low solubility in water but is soluble in organic solvents like methylene chloride and acetonitrile. It exhibits limited reactivity in neutral and basic conditions, making it suitable for various synthetic applications. It is stable under normal conditions but should be handled with care due to its chemical nature.

How is 2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6) typically synthesized?

2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6) is typically synthesized through a Friedel-Crafts alkylation reaction of 3-(trifluoromethyl)pyridine with iodine in the presence of a Lewis acid catalyst such as aluminum trichloride. The reaction proceeds at a moderate temperature, yielding a high selectivity and yield of the desired product.

What industries use 2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6)?

2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6) finds applications in pharmaceuticals, where it is used as an intermediate in the synthesis of drug candidates. It is also utilized in the development of new materials, including polymers and sensors, due to its unique chemical properties and reactivity.

What precautions should be taken when handling 2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6)?

When handling 2-Iodo-3-(trifluoromethyl)pyridine (CAS: 927434-20-6), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, gloves should be used to clean up the area, and the spill should be handled according to the Material Safety Data Sheet (SDS). Always use a fume hood when performing operations with this compound to minimize exposure.