3-Chloro-2,5,6-trifluoropyridine

Basic Information

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CAS Number

2879-42-7

Molecular Formula

C5HClF3N

Molecular Weight

167.52 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

152 ºC

Water Solubility

Not miscible or difficult to mix in water.

Flash Point

46 ºC

Refractive Index

1.456

SMILES

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C1=C(C(=NC(=C1Cl)F)F)F

InChI

InChI=1S/C5HClF3N/c6-2-1-3(7)5(9)10-4(2)8/h1H

InChIKey

OROKHXKJSDPRET-UHFFFAOYSA-N

LogP

2.1522999999999994

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

124

Safety Information

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Hazard Statement

Hazard Class

Class 8 Class 8

Synonyms & References

English

2879-42-7
AMY28411
J-512182
A819595
AKOS005063477
Pyridine, 3-chloro-2,5,6-trifluoro-
3-chloro-2,5,6-trifluoro-pyridine
D84181
MFCD03001160
DTXSID20382537
Pyridine,3-chloro-2,5,6-trifluoro-
SCHEMBL845384
EN300-221502
3-Chloro-2,5,6-trifluoropyridine
FT-0615308
OROKHXKJSDPRET-UHFFFAOYSA-N
DS-14655
SY106550
SB52948
C5HClF3N
2,3,6-trifluoro-5-chloropyridine
5-chloro-2,3,6-trifluoropyridine
SBB088113
FCH919094
BBL103837
STL557647
PC10520
VP14500
AX8085588
3-chlora

MDL Number

MFCD03001160

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Chloro-2,5,6-trifluoropyridine (CAS: 2879-42-7)?

3-Chloro-2,5,6-trifluoropyridine is a crystalline solid with a molecular weight of approximately 210.01 g/mol. It has low water solubility and good solubility in organic solvents like dichloromethane and ethanol. This compound is relatively stable under normal conditions but can react with strong reducing agents. Its reactivity is influenced by the presence of fluorine and chlorine substituents.

How is 3-Chloro-2,5,6-trifluoropyridine (CAS: 2879-42-7) typically synthesized?

3-Chloro-2,5,6-trifluoropyridine is synthesized through the electrophilic fluorination of 3-chloropyridine followed by the alkylation of the resulting 2,5,6-trifluoropyridine with a chlorinating agent. Commonly, the reaction is catalyzed by Lewis acids such as aluminum chloride, and the process involves high yields and good selectivity.

What industries use 3-Chloro-2,5,6-trifluoropyridine (CAS: 2879-42-7)?

3-Chloro-2,5,6-trifluoropyridine finds application in the pharmaceutical industry for the synthesis of certain drugs, as well as in the semiconductor industry for the production of organic semiconductors. It is also used in the development of sensors and polymers due to its unique electronic properties.

What precautions should be taken when handling 3-Chloro-2,5,6-trifluoropyridine (CAS: 2879-42-7)?

When handling 3-Chloro-2,5,6-trifluoropyridine, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate chemical spill kits, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed safety information.