1-(2,6-Difluorobenzyl)piperazine

Basic Information

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CAS Number

874774-61-5

Molecular Formula

C11H14F2N2

Molecular Weight

212.24 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

37-40

SMILES

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Fc1cccc(F)c1CN2CCNCC2

InChI

InChI=1S/C11H14F2N2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2

InChIKey

DCUMZROHXKMGAR-UHFFFAOYSA-N

LogP

1.37

Topological Polar Surface Area

15.27 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Statement

Synonyms & References

English

1-(2,6-Difluorobenzyl)piperazine
1-[(2,6-difluorophenyl)methyl]piperazine
PC1416

MDL Number

MFCD03407489

FAQ

What are the physical and chemical properties of 1-(2,6-Difluorobenzyl)piperazine (CAS: 874774-61-5)?

1-(2,6-Difluorobenzyl)piperazine is a colorless to white crystalline solid. Its molecular weight is approximately 266.21 g/mol. It is slightly soluble in water but has good solubility in organic solvents like dichloromethane and ethanol. The compound is relatively stable but reacts with strong acids and bases. It has a melting point of around 110-112°C and a boiling point of about 300°C under reduced pressure.

How is 1-(2,6-Difluorobenzyl)piperazine (CAS: 874774-61-5) typically synthesized?

1-(2,6-Difluorobenzyl)piperazine can be synthesized through the reaction of 2,6-difluorobenzyl bromide with piperazine in the presence of a base such as potassium carbonate. The reaction typically proceeds with high selectivity and yields up to 90% of the desired product. The process involves stirring the mixture at room temperature for several hours, followed by purification through column chromatography.

What industries use 1-(2,6-Difluorobenzyl)piperazine (CAS: 874774-61-5)?

1-(2,6-Difluorobenzyl)piperazine is primarily used in the pharmaceutical and sensor industries. It serves as a precursor in the synthesis of various pharmaceutical compounds due to its functional groups. Additionally, it can be used in the development of gas sensors for detecting specific chemicals in industrial applications.

What precautions should be taken when handling 1-(2,6-Difluorobenzyl)piperazine (CAS: 874774-61-5)?

When handling 1-(2,6-Difluorobenzyl)piperazine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin contact and inhalation. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be contained and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal procedures.