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Sigma-Aldrich

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride

97%

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Empirical Formula (Hill Notation):
C13H18Cl2N2 · HCl
CAS Number:
52605-52-4
Molecular Weight:
309.66
EC Number:
258-038-0
MDL number:
MFCD00067039
UNSPSC Code:
12352100
PubChem Substance ID:
24862198
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

198-203 °C (lit.)

SMILES string

Cl[H].ClCCCN1CCN(CC1)c2cccc(Cl)c2

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

InChI key

JVLRNANYLVRULL-UHFFFAOYSA-N

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General description

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride is present as impurity in nefazodone hydrochloride (pharmaceutical formulation). Synthesis of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride is reported.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Synthesis of 1-(3-Chlorophenyl)-4-(3-Chloropropyl)-Piperazine Hydrochloride.
<BIG>Mai-Chun S, et al. </BIG>
Fine Chemicals / ????, 35(5) (2005)
D Sreenivas Rao et al.
Journal of pharmaceutical and biomedical analysis, 26(4), 629-636 (2001-08-23)
A simple, selective and reproducible reversed-phase liquid chromatography (LC) method has been developed for the quantitative determination of nefazodone hydrochloride (I) in the presence of its related impurities, namely 5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3-(4H)one (II), 1-(3-chlorophenyl)-4-(3-chloropropyl) piperazine hydrochloride (III) and 1,1(1)-trimethylene-bis[4-(3-chlorophenyl) piperazine] hydrochloride (IV).

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