HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Chloruracil
4-CHLOROURACIL · 6-chloro-1,2,3,4-tetrahydropyriMidine-2,4-dione · NSC 43265 · orouraciL · NSC 210419 · Chlorouracil · AURORA KA-4918 · 6-CHLOROURACIL
Identifikatoren & physikalische Daten
| CAS No. | 4270-27-3 |
|---|---|
| Summenformel | C4H3ClN2O2 |
| Durchschnittliche Molmasse | 146,53 g/mol |
| Monoisotopische Masse | 145,98830502 g/mol |
| SMILES | O=c1cc(Cl)[nH]c(=O)[nH]1 |
| InChIKey | PKUFNWPSFCOSLU-UHFFFAOYSA-N |
| PubChem CID | 73272 |
| EC No. | 224-258-0 |
| DTXSID | DTXSID70195396 |
| Lokaler Name | 6-Chloruracil |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 199 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 290-295°C |
| Siedepunkt | 300°C |
| Dichte | 1.61±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in Ammonium Hydroxide4.885g/L(25 ºC) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.24±0.10(Predicted) |
| Farbe | White |
| BRN | 120492 |
| InChI | InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9) |
| InChIKey | PKUFNWPSFCOSLU-UHFFFAOYSA-N |
| SMILES | C1(=O)NC(Cl)=CC(=O)N1 |
| CAS Datenbank | 4270-27-3(CAS DataBase Reference) |
| NIST chemische Informationen | 6-Chlorouracil(4270-27-3) |
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 50 reports by companies from 9 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 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Chlorouracil acts as an inhibitor of yeast alcohol dehydrogenase (ADH-H). 6-Chlorouracil is a potential inhibitor of DNA repair glycosylases.