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2,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid · 3,4-ETHYLENEDIOXOTHIOPHENE-2,5-DICA · 3,4-Ethylendioxythiophen-2,5-dicarbonsure · 3,4-ETHYLENEDIOXOTHIOPHENE-2,5-DICARBOXYLIC ACID · 3,4-Ethylenedioxythiophene-2,5-dicarboxylic Acid · 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene · 3,4-Ethylenedioxythiophene-2,5-dicarboxylicAcid>EDOT，2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene · 2,3-Dihydro-thieno[3,4-b]-p-dioxin-5,7-dicarboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 18361-03-0 |
|---|---|
| Summenformel | C8H6O6S |
| Durchschnittliche Molmasse | 230,2 g/mol |
| Monoisotopische Masse | 229,98850891 g/mol |
| SMILES | O=C(O)c1sc(C(=O)O)c2c1OCCO2 |
| InChIKey | NWIYUAISDYJVMZ-UHFFFAOYSA-N |
| PubChem CID | 728841 |
| ChEMBL | CHEMBL1173788 |
| EC No. | 605-999-2 |
| DTXSID | DTXSID401036117 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 121 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 265 |
| Schmelzpunkt | 319.5-321.2 °C |
| Siedepunkt | 482.6±45.0 °C(Predicted) |
| Dichte | 1.732±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | slightly sol. in Dimethylformamide |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.56±0.20(Predicted) |
| Farbe | White to Light yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 18-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11533 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2934.99.4400 |
Anwendungen & Verwendung
Verwenden
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid is a useful reactant for a metal-organic framework biosensor that was used to detect ascorbic acid (AA).