1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)

Basic Information

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CAS Number

52605-52-4

Molecular Formula

C13H19Cl3N2

Molecular Weight

309.67 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

Melting Point

198-203 °C

Boiling Point

395.8 °C at 760 mmHg

Flash Point

193.2 °C

SMILES

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C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl

InChI

InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H

InChIKey

JVLRNANYLVRULL-UHFFFAOYSA-N

LogP

3.5127000000000024

Topological Polar Surface Area

6.48 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

218

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

Synonyms & References

English

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride
CS-W009317
MFCD00067039
FT-0605822
UNII-2692F180CJ
DTXSID9057761
1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride
AC-7638
BP-12834
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazineHydrochloride
CAS-52605-52-4
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride, 97%
52605-52-4
C1608
NCGC00262916-01
A824629
SCHEMBL1254640
1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine hydrochloride
CHEMBL3186498
JVLRNANYLVRULL-UHFFFAOYSA-N
Z3071317850
1-(3-Chlorophenyl)-4-(3-chloroproyl)piperazine hydrochloride
Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, monohydrochloride
Tox21_113914
W-105809
Q27254074
W-106421
EINECS 258-038-0
AS-13192

MDL Number

MFCD00067039

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4)?

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4) is a crystalline solid with a molecular weight of approximately 431.69 g/mol. It has a pKa of about 1.5 and is moderately soluble in water. The compound exhibits good solubility in organic solvents such as ethanol and acetonitrile. It is relatively stable under normal conditions but should be handled in a fume hood to avoid inhalation. Reactivity is minimal under typical laboratory conditions, but care should be taken during synthesis and handling to avoid direct contact and inhalation. This compound is often used in pharmaceutical and chemical research applications.

How is 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4) typically synthesized?

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride is typically synthesized by the reaction of 4-(3-chloropropyl)piperazine with 3-chlorophenol in the presence of an acid catalyst such as sulfuric acid. The reaction is usually carried out under reflux, and the product is then hydrochlorinated to form the hydrochloride salt. The yield is typically around 85-90%, and the product is purified by recrystallization from a suitable solvent. This method ensures the formation of the desired product with good selectivity and yield.

What industries use 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4)?

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4) is primarily used in the pharmaceutical industry for its potential therapeutic applications, particularly in central nervous system research. It has also found applications in the polymer industry, where it serves as a stabilizer or additive. Additionally, this compound is used in the development of sensors and as a precursor in semiconductor manufacturing due to its unique physicochemical properties.

What precautions should be taken when handling 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4)?

When handling 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (CAS: 52605-52-4), it is essential to take appropriate precautions to ensure safety. Wear proper personal protective equipment (PPE), including gloves and safety goggles, and work in a well-ventilated area or fume hood. Avoid inhalation and direct contact with the skin and eyes. In case of a spill, immediately clean up using the appropriate absorbent material and dispose of it according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.