2,5-Dibromo-3-(trifluoromethyl)pyridine

Basic Information

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CAS Number

79623-39-5

Molecular Formula

C6H2Br2F3N

Molecular Weight

304.89 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

Boiling Point

223 ºC

Density

2.052

Flash Point

89 ºC

SMILES

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FC(F)(F)c1cc(Br)cnc1Br

InChI

InChI=1S/C6H2Br2F3N/c7-3-1-4(6(9,10)11)5(8)12-2-3/h1-2H

InChIKey

BPJRLWMELJRXLB-UHFFFAOYSA-N

LogP

3.6254

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

161

Synonyms & References

English

2,5-Dibromo-3-(trifluoromethyl)pyridine
2,5-Dibromo-3-trifluoromethylpyridine
BPJRLWMELJRXLB-UHFFFAOYSA-N
AK109017
AB0051904
ST24027332
Z5143

MDL Number

MFCD13185530

FAQ

What are the physical and chemical properties of 2,5-Dibromo-3-(trifluoromethyl)pyridine (CAS: 79623-39-5)?

2,5-Dibromo-3-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 300.04 g/mol. It has limited solubility in water but is soluble in most organic solvents. The compound shows moderate reactivity towards nucleophiles and electrophiles. It exhibits high polarity due to the presence of the trifluoromethyl and bromine groups.

How is 2,5-Dibromo-3-(trifluoromethyl)pyridine (CAS: 79623-39-5) typically synthesized?

2,5-Dibromo-3-(trifluoromethyl)pyridine can be synthesized via bromination of 3-(trifluoromethyl)pyridine using N-bromosuccinimide (NBS) in the presence of a radical initiator. The reaction is typically carried out in an inert solvent like toluene at room temperature. The yield can be up to 85% under optimized conditions.

What industries use 2,5-Dibromo-3-(trifluoromethyl)pyridine (CAS: 79623-39-5)?

2,5-Dibromo-3-(trifluoromethyl)pyridine is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It also finds applications in the polymer industry, where it can be used as a monomer or crosslinking agent. Additionally, it is utilized in the development of sensors and semiconductors due to its unique physical and chemical properties.

What precautions should be taken when handling 2,5-Dibromo-3-(trifluoromethyl)pyridine (CAS: 79623-39-5)?

Proper personal protective equipment (PPE) should be worn when handling 2,5-Dibromo-3-(trifluoromethyl)pyridine, including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize inhalation risk. In case of spill, immediately use appropriate spill kits and consult the Safety Data Sheet (SDS) for further instructions.