CAS 119532-26-2 1-(2,3-Dichlorophenyl)piperazine hydrochloride (HCID 11630372)

Names & identifiers

Preferred name: 1-(2,3-Dichlorophenyl)piperazine hydrochloride
IUPAC: 1-(2,3-dichlorophenyl)piperazine;hydrochloride
English name: 1-(2,3-Dichlorophenyl)piperazine hydrochloride
Molecular formula: C10H13Cl3N2
Molecular weight: 267.58

Names & synonyms

1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-2EC 601-621-5RefChem:73966601-621-5630-331-11-(2,3-Dichlorophenyl)piperazine HCl1-(2,3-Dichlorophenyl)piperazine monohydrochloridePiperazine, 1-(2,3-dichlorophenyl)-, hydrochloride (1:1)1-(2,3-dichlorophenyl)piperazine;hydrochlorideMFCD001902381-(2,3-dichlorophenyl)-piperazine monohydrochloride

Show more names

1-(2,3-DICHLOROPHENYL)PIPERAZINEAripiprazole EP Impurity BRARECHEM AH CK 0082TIMTEC-BB SBB0030541-(2,3-DichlorophenyAripiprazole USP RC CAripiprazole Impurity 66Aripiprazole impurities1788

Piperazine, 1-(2,3-dichlorophenyl)-, monohydrochlorideAripiprazole EP Impurity B HClN-(2,3-Dichlorophenyl)piperazine Hydrochloride1-(2,3-Dichloorphenyl)piperazine HCL(2,3-dichlorophenyl)piperazine, chloride2,3-dichlorophenylpiperazine hydrochlorideDCPP-hydrochloride1-(2,3-Dichlorophenyl)-piperazine hydrochloride

Database identifiers

CAS: 119532-26-2
PubChem CID: 11630372
DTXSID: DTXSID50866037
UNII: QC5R44625J
EC Number: 601-621-5、630-331-1

Properties

Computed structural properties

Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 243 · 243-247 °C
storage temp.: 2 · 2-8°C
solubility: 11 mg/ml; · DMF: 11 mg/ml; DMSO: 16 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 10 mg/ml
form: powder to crystal
color: White to Orange to Green
Water Solubility: Soluble in water, DMSO and methanol.
Sensitive: Hygroscopic
Major Application: pharmaceutical small molecule
InChI: InChI=1S/C10H12Cl2N2.ClH/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;/h1-3,13H,4-7H2;1H
InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N
SMILES: ClC1C(=CC=CC=1N1CCNCC1)Cl.Cl
CAS DataBase Reference: 119532 · 119532-26-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.

Warning

H302 (13.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory InformationStatus: Active Update: 16-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6311

Hazard Classes and CategoriesAcute Tox. 4 (13.4%)

Safety data

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesThis product is intended for forensic and research purposes and it is an aripiprazole intermediate.

UsesAripiprazole (A771000) intermediate.

Preparation methods · 1 item

Preparationβ,β'-dichlorodiethylamine hydrochloride was synthesized by chlorination under solvent-free conditions using diethanolamine as the starting material. Then, it was cyclized with 2,3-dichlorophenylpiperazine in water to give 1-(2,3-dichlorophenyl)piperazine hydrochloride.