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6-(Chlormethyl)uracil
Tipiracil-002 · 6-(CHLOROMETHYL · TIMTEC-BB SBB003961 · Tipiracil Impurity 14 · 6-(CHLOROMETHYL)URACIL · 4-(chloromethyl)uracil · 5-CHLORO-6-METHYLURACIL · 6-methyl-5-chlorouracil
Identifikatoren & physikalische Daten
| CAS No. | 18592-13-7 |
|---|---|
| Summenformel | C5H5ClN2O2 |
| Durchschnittliche Molmasse | 160,56 g/mol |
| Monoisotopische Masse | 160,00395508 g/mol |
| SMILES | O=c1cc(CCl)[nH]c(=O)[nH]1 |
| InChIKey | VCFXBAPEXBTNEA-UHFFFAOYSA-N |
| PubChem CID | 73273 |
| EC No. | 242-431-9 |
| DTXSID | DTXSID4066387 |
| Lokaler Name | 6-(Chlormethyl)uracil |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 212 |
| Schmelzpunkt | 257 °C (dec.)(lit.) |
| Dichte | 1.393±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | almost transparency in N,N-DMF |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 7.91±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10) |
| InChIKey | VCFXBAPEXBTNEA-UHFFFAOYSA-N |
| SMILES | C1(=O)NC(CCl)=CC(=O)N1 |
| CAS Datenbank | 18592-13-7(CAS DataBase Reference) |
| EPA chemische Informationen | 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)- (18592-13-7) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-(Chloromethyl)uracil is an alkali-resistant protein adsorbent, suitable for medical procedures. it is also used in the synthesis of chlorophenyl hydroxypiperidine analogs having anti-amylatic activity.