HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyrimidin-5-carbonsure
PYRIMIDINE-5-CARBOXYLIC ACID · AKOS 91242 · Pyrimidine-5-carb · RARECHEM AK ML 0570 · 5-Carboxypyrimidine · 5-Pyrimidinecarboxylicaci · PyriMidin-5-carboxylic acid · 5-PYRIMIDINECARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 4595-61-3 |
|---|---|
| Summenformel | C5H4N2O2 |
| Durchschnittliche Molmasse | 124,1 g/mol |
| Monoisotopische Masse | 124,02727737 g/mol |
| SMILES | O=C(O)c1cncnc1 |
| InChIKey | IIVUJUOJERNGQX-UHFFFAOYSA-N |
| PubChem CID | 78346 |
| ChEMBL | CHEMBL247316 |
| EC No. | 224-994-2 |
| DTXSID | DTXSID90196663 |
| Lokaler Name | Pyrimidin-5-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 110 |
| Schmelzpunkt | 259 °C |
| Siedepunkt | 318.7±15.0 °C(Predicted) |
| Dichte | 1.403±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.74±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Yellow to Orange |
| InChI | 1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9) |
| InChIKey | IIVUJUOJERNGQX-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cncnc1 |
| CAS Datenbank | 4595-61-3(CAS DataBase Reference) |
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 47 reports by companies from 10 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 |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Pyrimidine-5-carboxylic Acid is used in the preparation of heterocyclic compounds as an antiviral agent.