HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2,3-Dichlorophenyl)piperazine hydrochloride
1-(2,3-DICHLOROPHENYL)PIPERAZINE · 1-(2,3-DICHLOROPHENYL)PIPERAZINE HCL · Aripiprazole EP Impurity B · DCPP-Hydrochloride · RARECHEM AH CK 0082 · TIMTEC-BB SBB003054 · 1-(2,3-Dichloropheny · Aripiprazole USP RC C
Identifikatoren & physikalische Daten
| CAS No. | 119532-26-2 |
|---|---|
| Summenformel | C10H13Cl3N2 |
| Durchschnittliche Molmasse | 267,6 g/mol |
| Monoisotopische Masse | 266,01443146 g/mol |
| SMILES | Cl.Clc1cccc(N2CCNCC2)c1Cl |
| InChIKey | CYQFNNSFAGXCEC-UHFFFAOYSA-N |
| PubChem CID | 11630372 |
| EC No. | 601-621-5 |
| DTXSID | DTXSID50866037 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 15,3 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 183 |
| Schmelzpunkt | 243-247 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMF: 11 mg/mlDMSO: 16 mg/mlEthanol: 5 mg/mlPBS (pH 7.2): 10 mg/mlSoluble in water, DMSO and methanol. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| Hauptanwendungen | 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,4-7H21H |
| InChIKey | CYQFNNSFAGXCEC-UHFFFAOYSA-N |
| SMILES | ClC1C(=CC=CC=1N1CCNCC1)Cl.Cl |
| CAS Datenbank | 119532-26-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.WarningH302 (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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6311 |
| Hazard Classes and Categories | Acute Tox. 4 (13.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Aripiprazole (A771000) intermediate.