HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Thienylessigsaeure
2-Thiophene · THIOPHENE-2-ACETIC ACID · Thien-2-ylacetate · AKOS BBS-00003728 · 2-thienylaceticaci · 2-THENYLACETIC ACID · RARECHEM AL BO 0215 · TIMTEC-BB SBB004145
Identifikatoren & physikalische Daten
| CAS No. | 1918-77-0 |
|---|---|
| Summenformel | C6H6O2S |
| Durchschnittliche Molmasse | 142,18 g/mol |
| Monoisotopische Masse | 142,00885043 g/mol |
| SMILES | O=C(O)Cc1cccs1 |
| InChIKey | SMJRBWINMFUUDS-UHFFFAOYSA-N |
| PubChem CID | 15970 |
| ChEBI | CHEBI:45807 |
| EC No. | 217-639-8 |
| DTXSID | DTXSID5062059 |
| Lokaler Name | 2-Thienylessigsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 63-64 °C (lit.) |
| Siedepunkt | 160 °C/22 mmHg (lit.) |
| Dichte | 1.365 (estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | 160°C/22mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)Soluble in water, ethanol, ether and carbon tetrachloride. |
| pKa (Säurekonstante) | 4.23±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Slightly brown to brown |
| BRN | 114551 |
| InChI | 1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) |
| InChIKey | SMJRBWINMFUUDS-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1cccs1 |
| CAS Datenbank | 1918-77-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiopheneacetic acid(1918-77-0) |
| EPA chemische Informationen | 2-Thiopheneacetic acid (1918-77-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (12.7%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Thiopheneacetic acidStatus: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22642 |
| Hazard Classes and Categories | Met. Corr. 1 (12.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29349990 |
| R-Sätze (R) | 34-37-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25-27 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Thiopheneacetic acid is used in the preparation of rosette-like nanoscale gold materials. Further, it is used as a pharmaceutical intermediate for cefaloridine and cefalotin sodium.