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Thiophen-2-ethanol
THIOPHENE-2-ETHANOL · 2-(thiophen-2-yl)ethan-1-ol · Thiopheneethanol · 2-THIOPHENETHANOL · 2-(2-THIENYL)ETHANOL · 2-THIENYLETHANOL · 2-THIOPHENEETHANOL · 2- thiophenealcohol
Identifikatoren & physikalische Daten
| CAS No. | 5402-55-1 |
|---|---|
| Summenformel | C6H8OS |
| Durchschnittliche Molmasse | 128,19 g/mol |
| Monoisotopische Masse | 128,02958588 g/mol |
| SMILES | OCCc1cccs1 |
| InChIKey | VMJOFTHFJMLIKL-UHFFFAOYSA-N |
| PubChem CID | 79400 |
| ChEBI | CHEBI:195139 |
| EC No. | 226-452-0 |
| DTXSID | DTXSID2063840 |
| Lokaler Name | Thiophen-2-ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 65,5 |
| SpringerMaterials Properties | Surface tension |
| Siedepunkt | 108-109 °C/13 mmHg (lit.) |
| Dichte | 1.153 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.551(lit.) |
| Flammpunkt | 214 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)slightly soluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.77±0.10(Predicted) |
| Farbe | Clear light yellow to gray-green or brownish |
| BRN | 106985 |
| InChI | 1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2 |
| InChIKey | VMJOFTHFJMLIKL-UHFFFAOYSA-N |
| SMILES | OCCc1cccs1 |
| LogP (Verteilungskoeffizient) | 1.040 (est) |
| CAS Datenbank | 5402-55-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiopheneethanol(5402-55-1) |
| EPA chemische Informationen | 2-Thiopheneethanol (5402-55-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 76.5% (13 of 17) of all reports.WarningH302 (23.5%): 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 17 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/124222-Thiopheneethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (23.5%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-36-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Thiopheneethanol is a thiophene derivative used in the preparation of oligothiophene isothiocyanates as fluorescent markers for biopolymers. 2-Thiopheneethanol is also used in the preparation of oth er biologically active compounds such as the analgesic Sulfentanyl and the antithrombotic Clopidogrel Hydrogen Sulfate (C587250).