HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Nitrouracil
5-NITROPYRIMIDINE-2,4-DIOL · 5-NITROPYRIMIDINE-2,4(1H,3H)-DIONE · NSC 9790 · NITROURACIL · 5-NITROURACIL · 5-Nitrouyacil · 5-Nitro-1H-pyr · Uracil, 5-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 611-08-5 |
|---|---|
| Summenformel | C4H3N3O4 |
| Durchschnittliche Molmasse | 157,08 g/mol |
| Monoisotopische Masse | 157,01235558 g/mol |
| SMILES | O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1 |
| InChIKey | TUARVSWVPPVUGS-UHFFFAOYSA-N |
| PubChem CID | 69135 |
| ChEMBL | CHEMBL323780 |
| ChEBI | CHEBI:60763 |
| EC No. | 210-250-4 |
| DTXSID | DTXSID2060597 |
| Lokaler Name | 5-Nitrouracil |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 263 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | >300 °C(lit.) |
| Siedepunkt | 281.7°C (rough estimate) |
| Dichte | 1.8278 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO, Water3.61g/L(25 ºC) |
| Aggregatzustand | Crystalline Powder or Needles |
| pKa (Säurekonstante) | 5.19±0.10(Predicted) |
| Farbe | Off-white to pale yellow |
| BRN | 10410 |
| InChI | InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9) |
| InChIKey | TUARVSWVPPVUGS-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=C([N+]([O-])=O)C(=O)N1 |
| CAS Datenbank | 611-08-5(CAS DataBase Reference) |
| EPA chemische Informationen | 5-Nitrouracil (611-08-5) |
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 31 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) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| RTECS-Nr. | UV9104545 |
| R-Sätze (R) | 11-34 |
| Gefahrensymbole | F,C |
| Sicherheitshinweise (S) | 22-24/25-45-36/37/39-26-16 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Nitrouracil (cas# 611-08-5) is a compound useful in organic synthesis.