1-(2-Methoxyphenyl)piperazine hydrobromide (1:1)

Basic Information

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CAS Number

100939-96-6

Molecular Formula

C11H17BrN2O

Molecular Weight

273.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

248-250°C

SMILES

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COC1=CC=CC=C1N2CCNCC2.Br

InChI

InChI=1S/C11H16N2O.BrH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

InChIKey

QPAHBXFXDDEKNB-UHFFFAOYSA-N

LogP

1.6826999999999999

Topological Polar Surface Area

24.5 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

169

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-(2-Methoxyphenyl)piperazine--hydrogen bromide (1/1)
100939-96-6
1-(2-Methoxyphenyl)piperazine hydrobromide
2-Meopp HBr
CS-0329905
E79160
1-(2-Methoxylphenyl)-piperazine monohydrobromide
Piperazine, 1-(2-methoxyphenyl)-, hydrobromide (1:1)
1-(2-methoxylphenyl)piperazine hydrobromide
UNII-2N1ZY78316
A800302
AS-10762
AMY32503
1-(2-methoxyphenyl)piperazine HBr
MFCD00450303
1-(2-Methoxyphenyl)-piperazine hydrobromide
BCP11123
Piperazine, 1-o-anisyl-, -HBr
2N1ZY78316
FT-0602258
1-(2-methoxyphenyl)piperazine hydrobromide;1-(2-Methoxylphenyl)-piperazine monohydrobromide
1-(2-Methoxyphenyl-piperazine)monohydrobromide
N-(2-Methoxyphenyl)piperazine hydrobromide
Q27255037
1-(2-METHOXYLPHENYL)-PIPERAZINE HYDROBROMIDE
AKOS007930144
Piperazine, 1-(2-methoxyphenyl)-, monohydrobromide
J-000281
1-(2-methoxyphenyl)piperazine;hydrobromide
DTXSID40641012
AC-26438

MDL Number

MFCD00450303

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6)?

1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6) is a crystalline compound with a molecular weight of approximately 295.08 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dimethyl sulfoxide. Chemically, it is stable under normal conditions but should be kept away from strong acids and bases. It exhibits basic properties due to the presence of the hydrobromide salt group.

How is 1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6) typically synthesized?

1-(2-Methoxyphenyl)piperazine hydrobromide is typically synthesized by reacting piperazine with 2-methoxybenzoyl chloride in the presence of a base like triethylamine. The reaction is carried out in an organic solvent such as dichloromethane. The product is then treated with hydrogen bromide to form the hydrobromide salt. The purity and yield can be improved by recrystallization from appropriate solvents.

What industries use 1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6)?

1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6) is primarily used in pharmaceuticals for its structural similarity to other piperazine derivatives, which are often used as antipsychotics. It may also find applications in polymer synthesis, as a ligand in coordination chemistry, and in the development of sensors for detecting specific chemical compounds. Its use in semiconductors is less common due to the absence of semiconducting properties.

What precautions should be taken when handling 1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6)?

When handling 1-(2-Methoxyphenyl)piperazine hydrobromide (CAS: 100939-96-6), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The substance should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions. Laboratory operations involving this compound should be conducted in a well-ventilated area or fume hood to minimize exposure risks.