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2,5-Dihydroxyterephthalsure
DHTA · 2,5-dihydroxybenzene-1,4-dicarboxylic acid · 2,5-dihydroxyterephthalic · 2,5-Dihydroxytelephthalic acid · 2,5-Dihydroxy-1,4-benzenedicarboxylic acid · DHTPA · DK7265 · DK7437
Identifikatoren & physikalische Daten
| CAS No. | 610-92-4 |
|---|---|
| Summenformel | C8H6O6 |
| Durchschnittliche Molmasse | 198,13 g/mol |
| Monoisotopische Masse | 198,01643791 g/mol |
| SMILES | O=C(O)c1cc(O)c(C(=O)O)cc1O |
| InChIKey | OYFRNYNHAZOYNF-UHFFFAOYSA-N |
| PubChem CID | 69131 |
| ChEMBL | CHEMBL4464247 |
| EC No. | 210-239-4 |
| DTXSID | DTXSID30209867 |
| Lokaler Name | 2,5-Dihydroxyterephthalsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 224 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 498.9±45.0 °C(Predicted) |
| Dichte | 1.779±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in hot dimethylformamide. |
| pKa (Säurekonstante) | 2.17±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Dark gray to green |
| InChI | InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14) |
| InChIKey | OYFRNYNHAZOYNF-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=CC(O)=C(C(O)=O)C=C1O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29181990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Employed as an important intermediate for raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.