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Malonic acid-2-13C
malonic-2-13C acid · Malonic acid-2-13C · MALONIC-2-13C ACID, 99 ATOM % 13C
Identifikatoren & physikalische Daten
| CAS No. | 55514-11-9 |
|---|---|
| Summenformel | C3H4O4 |
| Durchschnittliche Molmasse | 105,05 g/mol |
| Monoisotopische Masse | 105,01431344 g/mol |
| SMILES | O=C(O)[13CH2]C(=O)O |
| InChIKey | OFOBLEOULBTSOW-OUBTZVSYSA-N |
| PubChem CID | 11332425 |
| EC No. | 622-719-4 |
| DTXSID | DTXSID30462531 |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 83,1 |
| Schmelzpunkt | 132-135 °C (dec.) (lit.) |
| Lagerbedingungen | Hygroscopic, Refrigerator, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| InChI | 1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/i1+1 |
| InChIKey | OFOBLEOULBTSOW-OUBTZVSYSA-N |
| SMILES | OC(=O)[13CH2]C(O)=O |
| CAS Number Unlabeled | 141-82-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
Malonic Acid-2-13C is labelled Malonic Acid (M158005) which is a small bioactive molecule, that can be used in variuos reactions. It is the classic example of a competitive inhibitor, which acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain.