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4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE HYDROCHLORIDE · Tetrahydrothienopyridine Hydrochloride · 4,5,6,7-TETRAHYDROTHIENO[3,2,C] PYRIDINE HCL · Clopidogrel-7 · 2-c]pyridine HCl · 7-Tetrahydrothieno[3 · Pragrace Impurity 23 · Zidovudine impurity F
Identifikatoren & physikalische Daten
| CAS No. | 28783-41-7 |
|---|---|
| Summenformel | C7H10ClNS |
| Durchschnittliche Molmasse | 175,68 g/mol |
| Monoisotopische Masse | 175,022248 g/mol |
| SMILES | Cl.c1cc2c(s1)CCNC2 |
| InChIKey | QMXCTKPNQFJZGK-UHFFFAOYSA-N |
| PubChem CID | 10176342 |
| EC No. | 249-220-0 |
| DTXSID | DTXSID40951426 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,3 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 105 |
| Schmelzpunkt | 212-215°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO, Methanol, Water |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Hauptanwendungen | pharmaceutical |
| InChI | InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2 |
| InChIKey | OGUWOLDNYOTRBO-UHFFFAOYSA-N |
| SMILES | C12CNCCC=1SC=C2 |
| CAS Datenbank | 28783-41-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (78%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5733 |
| Hazard Classes and Categories | Acute Tox. 4 (78%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39-37 |
| Gefahrenklasse | IRRITANTAcute Tox. 3 Oral |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
An intemediate of Clopidogrel and Prasugrel.