HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tartronsure
2-hydroxyMalonic acid · Hydroxypropanedioic acid · C02287 · NSC 36171 · HO2CCH(OH)CO2H · Tartronic acid · Tartronicacid,98% · hydroxymalonicaci
Identifikatoren & physikalische Daten
| CAS No. | 80-69-3 |
|---|---|
| Summenformel | C3H4O5 |
| Durchschnittliche Molmasse | 120,06 g/mol |
| Monoisotopische Masse | 120,00587322 g/mol |
| SMILES | O=C(O)C(O)C(=O)O |
| InChIKey | ROBFUDYVXSDBQM-UHFFFAOYSA-N |
| PubChem CID | 45 |
| ChEMBL | CHEMBL1794676 |
| ChEBI | CHEBI:16513 |
| EC No. | 201-301-1 |
| DTXSID | DTXSID6075358 |
| Lokaler Name | Tartronsure |
Chemische & physikalische Eigenschaften
| XLogP | -1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 103 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 156 - 158 °C158-160 °C (dec.) (lit.) |
| Physical Description | Solid |
| Siedepunkt | 471.4±30.0 °C(Predicted) |
| Dichte | 1.2663 (rough estimate) |
| Brechungsindex | 1.4000 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water and alcohol. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.42, 4.54(at 25℃) |
| Farbe | White to Off-White |
| Merck | 14,9073 |
| BRN | 1209791 |
| InChI | 1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8) |
| InChIKey | ROBFUDYVXSDBQM-UHFFFAOYSA-N |
| SMILES | OC(C(O)=O)C(O)=O |
| CAS Datenbank | 80-69-3(CAS DataBase Reference) |
| EPA chemische Informationen | Propanedioic acid, hydroxy- (80-69-3) |
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 44 reports by companies from 4 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 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-26-36/37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Tartronic acid is used as a reactant in the catalytic oxidation with air to form mesoxalic acid.