HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Xanthen-9-carbonsure
XANTHANOIC ACID · 9H-XANTHENE-9-CARBOXYLIC ACID · xanthoic acid · Xanthene-9-carboxyL · Xanthin-9-formic acid · Xanthenecarboxylic acid · Xanthanoic Acid (100 mg) · 9H-xanthene-9-carboxylate
Identifikatoren & physikalische Daten
| CAS No. | 82-07-5 |
|---|---|
| Summenformel | C14H10O3 |
| Durchschnittliche Molmasse | 226,23 g/mol |
| Monoisotopische Masse | 226,06299418 g/mol |
| SMILES | O=C(O)C1c2ccccc2Oc2ccccc21 |
| InChIKey | VSBFNCXKYIEYIS-UHFFFAOYSA-N |
| PubChem CID | 65736 |
| ChEMBL | CHEMBL520 |
| ChEBI | CHEBI:191142 |
| EC No. | 201-394-9 |
| DTXSID | DTXSID70231501 |
| Lokaler Name | Xanthen-9-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 280 |
| Schmelzpunkt | 221-225 °C (lit.) |
| Siedepunkt | 391.3±41.0 °C(Predicted) |
| Dichte | 1.335±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | methanol: 0.1 g/mL, clearInsoluble in water. |
| pKa (Säurekonstante) | 4.30±0.20(Predicted) |
| Farbe | White to Off-White |
| BRN | 174414 |
| InChI | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) |
| InChIKey | VSBFNCXKYIEYIS-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)C2=C(C=CC=C2)OC2=C1C=CC=C2 |
| CAS Datenbank | 82-07-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29329990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39-37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Xanthene-9-carboxylic Acid is xanthrene derivative that is capable of inhibiting the TTR conformational changes facilitating amyloid fibril formation.