HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyridin-2,5-dicarbonsure
PYRIDINE-2,5-DICARBOXYLIC ACID · ICA · ISOCINCHOMERONIC ACID · 2,5-PYRIDINEDICARBOXYLIC ACID, 10 mM in DMSO · 2,5-LUTIDINIC ACID · TIMTEC-BB SBB003886 · RARECHEM AL BO 2394 · ISOCINCHOMERIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 100-26-5 |
|---|---|
| Summenformel | C7H5NO4 |
| Durchschnittliche Molmasse | 167,12 g/mol |
| Monoisotopische Masse | 167,02185764 g/mol |
| SMILES | O=C(O)c1ccc(C(=O)O)nc1 |
| InChIKey | LVPMIMZXDYBCDF-UHFFFAOYSA-N |
| PubChem CID | 7493 |
| ChEMBL | CHEMBL88972 |
| ChEBI | CHEBI:46865 |
| EC No. | 202-834-2 |
| DTXSID | DTXSID3059210 |
| Lokaler Name | Pyridin-2,5-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 87,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 204 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Dampfdruck | 0.0000061 [mmHg] |
| Physical Description | Solid[Merck Index] Light brown solid[Aldrich MSDS] |
| Schmelzpunkt | 242-247 °C (dec.)(lit.) |
| Siedepunkt | 295.67°C (rough estimate) |
| Dichte | 1.5216 (rough estimate) |
| Brechungsindex | 1.6280 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | 1.2g/l1.237g/L(25 ºC) |
| pKa (Säurekonstante) | 3.06±0.10(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Yellow to green |
| Merck | 14,5159 |
| BRN | 131697 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12) |
| InChIKey | LVPMIMZXDYBCDF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(nc1)C(O)=O |
| CAS Datenbank | 100-26-5(CAS DataBase Reference) |
| EPA chemische Informationen | 2,5-Pyridinedicarboxylic acid (100-26-5) |
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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2,5-Pyridinedicarboxylic acidIsocinchomeronic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Used in the preparation of new 2,5-pyridinedicarboxylic acids derivatives as antiviral agents.