HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Aminopyridine-2-carboxylic acid
5-AMINOPICOLINIC ACID · RARECHEM AL BO 1485 · 5-AMINO-2-PICOLINIC ACID · 5-amino-2-pyridinecarboxylicaci · 5-aminopyridine-2-carboxylicaci · 5-AMINO-2-PYRIDINECARBOXYLIC ACID · 5-AMINOPYRIDINE-2-CARBOXYLIC ACID · 2-PYRIDINECARBOXYLIC ACID, 5-AMINO-
Identifikatoren & physikalische Daten
| CAS No. | 24242-20-4 |
|---|---|
| Summenformel | C6H6N2O2 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,04292743 g/mol |
| SMILES | Nc1ccc(C(=O)O)nc1 |
| InChIKey | WDJARUKOMOGTHA-UHFFFAOYSA-N |
| PubChem CID | 4179726 |
| ChEMBL | CHEMBL3617318 |
| EC No. | 640-246-1 |
| DTXSID | DTXSID50400359 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 222-223 |
| Siedepunkt | 420.8±30.0 °C(Predicted) |
| Dichte | 1.417±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Acetone, Ethanol, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.33±0.50(Predicted) |
| Farbe | Off-White to Lght Brown |
| InChI | InChI=1S/C6H6N2O2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,7H2,(H,9,10) |
| InChIKey | WDJARUKOMOGTHA-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC=C(N)C=C1 |
| CAS Datenbank | 24242-20-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (84.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| Zollcode | 29333990 |
| R-Sätze (R) | 23/24/25-36/37/38-22 |
| Gefahrensymbole | Xi,T,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-45-37 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Aminopyridine-2-carboxylic Acid is a useful synthetic intermediate.