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HCID 93601Erstellt: 27. Oktober 2026
1-(3,4-Dichlorphenyl)piperazin
TIMTEC-BB SBB003275 · RARECHEM AH CK 0083 · Trazodone impurity QZT-IM-3-Z5 · N-(3,4-DICHLOROPHENYL)PIPERAZINE · 4-(3,4-Dichlorophenyl)piperazine · 1-(3,4-DICHLOROPHENYL)PIPERAZINE · Piperazine, 1-(3,4-dichlorophenyl)- · 1-(3,4-Dichlorophenyl)piperazine>1,2-Dichloro-4-(1-piperazino)benzene
https://huagongshe.com/de/chemical/93601
Identifikatoren & physikalische Daten
| CAS No. | 57260-67-0 |
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| Summenformel | C10H12Cl2N2 |
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| Durchschnittliche Molmasse | 231,12 g/mol |
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| Monoisotopische Masse | 230,03775374 g/mol |
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| SMILES | Clc1ccc(N2CCNCC2)cc1Cl |
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| InChIKey | PXFJLKKZSWWVRX-UHFFFAOYSA-N |
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| PubChem CID | 93601 |
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| ChEMBL | CHEMBL2335159 |
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| EC No. | 260-652-9 |
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| DTXSID | DTXSID70205883 |
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| Lokaler Name | 1-(3,4-Dichlorphenyl)piperazin |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 15,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 183 |
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| Schmelzpunkt | 62-66 °C |
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| Siedepunkt | 179 °C (15 mmHg) |
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| Dichte | 1.2949 (rough estimate) |
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| Brechungsindex | 1.6400 (estimate) |
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| Flammpunkt | 202°C/15mm |
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| Lagerbedingungen | Store below +30°C. |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 8.71±0.10(Predicted) |
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| Farbe | Pale Beige to Pale Orange |
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| BRN | 520169 |
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| InChI | 1S/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2 |
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| InChIKey | PXFJLKKZSWWVRX-UHFFFAOYSA-N |
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| SMILES | Clc1ccc(cc1Cl)N2CCNCC2 |
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| CAS Datenbank | 57260-67-0(CAS DataBase Reference) |
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| NIST chemische Informationen | 1-(3,4-Dichlorophenyl)-piperazine(57260-67-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Corr. 1C (16.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3259 |
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| Zollcode | 29335995 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-24/25-36 |
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| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | II |
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| Lagerklasse | 11 - Combustible Solids |
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