1-(3-Bromophenyl)piperazine hydrochloride (1:1)

Basic Information

View in Editor

CAS Number

796856-45-6

Molecular Formula

C10H14BrClN2

Molecular Weight

277.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

Cl.Brc1cccc(c1)N2CCNCC2

InChI

InChI=1S/C10H13BrN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H

InChIKey

INFIKWJCWNZVSH-UHFFFAOYSA-N

LogP

2.2805

Topological Polar Surface Area

15.27 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

1-(3-Bromophenyl)piperazine hydrochloride
1-(3-Bromophenyl)piperazine hydrochloride (1:1)
1-(3-bromophenyl)piperazine hydrochloride

MDL Number

MFCD06796178

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6)?

1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6) is a white crystalline solid with a molecular weight of approximately 329.02 g/mol. It has good solubility in water and is slightly soluble in ethanol. It is chemically stable under normal conditions but can react with strong bases. Its solubility and reactivity make it suitable for various pharmaceutical and research applications.

How is 1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6) typically synthesized?

1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6) can be synthesized through a multi-step reaction involving bromination of piperazine followed by coupling with 3-bromophenol. The synthesis typically requires a catalyst like triphenylphosphine and proceeds under mild conditions, yielding a high purity product with good selectivity and yield.

What industries use 1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6)?

1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6) is primarily used in the pharmaceutical industry for the development of novel drugs. It is also employed in polymer synthesis, sensors, and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6)?

When handling 1-(3-Bromophenyl)piperazine hydrochloride (CAS: 796856-45-6), ensure proper personal protective equipment (PPE) is worn, including gloves, goggles, and a lab coat. Store in a cool, dry place away from direct sunlight. Use a fume hood when mixing or handling to avoid inhalation. In case of a spill, follow the safety data sheet (SDS) guidelines for disposal and clean-up.