HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-Oxofuran-2-essigsure
NSC 59069 · FuroylforMic acid · RARECHEM AL BO 1141 · 2-FURANGLYOXYLIC ACID · 2-Furanyloxoacetic aid · 2-Furanylglyoxylic aid · LABOTEST-BB LT00847541 · Cefuroxime Impurity 98
Identifikatoren & physikalische Daten
| CAS No. | 1467-70-5 |
|---|---|
| Summenformel | C6H4O4 |
| Durchschnittliche Molmasse | 140,09 g/mol |
| Monoisotopische Masse | 140,01095861 g/mol |
| SMILES | O=C(O)C(=O)c1ccco1 |
| InChIKey | IXVPCJUAKDVYKX-UHFFFAOYSA-N |
| PubChem CID | 73846 |
| ChEMBL | CHEMBL299446 |
| EC No. | 215-990-1 |
| DTXSID | DTXSID70163454 |
| Lokaler Name | α-Oxofuran-2-essigsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 92-97 ºC |
| Siedepunkt | 235.0±22.0 °C(Predicted) |
| Dichte | 1.423±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.02±0.54(Predicted) |
| Farbe | Light Beige to Very Dark Brown |
| InChI | 1S/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9) |
| InChIKey | IXVPCJUAKDVYKX-UHFFFAOYSA-N |
| SMILES | OC(=O)C(=O)c1ccco1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 3261 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
α-Oxo-2-furanacetic Acid is an α-ketocarboxylic acid with inhibitory activity against protein tyrosine phosphatases.