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5,6-Dimethyluracil
5,6-Dimethylpyrimidine-2,4(1H,3H)-dione · NSC 49017 · NSC 163903 · Dimethyluracil · 6-methylthymine · 5,6-dimethyl-uraci · 5,6-Dimethyluracil · 5,6-Dimethyluracil >diMethylpyriMidine-2,4-diol
Identifikatoren & physikalische Daten
| CAS No. | 26305-13-5 |
|---|---|
| Summenformel | C6H8N2O2 |
| Durchschnittliche Molmasse | 140,14 g/mol |
| Monoisotopische Masse | 140,0585775 g/mol |
| SMILES | Cc1[nH]c(=O)[nH]c(=O)c1C |
| InChIKey | PZVLJGKJIMBYNP-UHFFFAOYSA-N |
| PubChem CID | 96031 |
| ChEMBL | CHEMBL1650610 |
| EC No. | 247-601-6 |
| DTXSID | DTXSID60180918 |
| Lokaler Name | 5,6-Dimethyluracil |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 230 |
| Schmelzpunkt | 297-300 °C (dec.)(lit.) |
| Siedepunkt | 256.63°C (rough estimate) |
| Dichte | 1.160 |
| Brechungsindex | 1.5065 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | almost transparency in hot Water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.01±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | 1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10) |
| InChIKey | PZVLJGKJIMBYNP-UHFFFAOYSA-N |
| SMILES | CC1=C(C)C(=O)NC(=O)N1 |
| CAS Datenbank | 26305-13-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Regulatorische Informationen | 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933.59.9500 |
| RTECS-Nr. | YQ9750000 |
| Toxizität | mouse,LD50,intraperitoneal,140mg/kg (140mg/kg),BEHAVIORAL: ANTIPSYCHOTIC,Chemical and Pharmaceutical Bulletin. Vol. 6, Pg. 490, 1958. |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Dihydroxy-5,6-dimethylpyrimidine was used in the synthesis of mono and polyatomic titanium derivatives. It was used as staring reagent in the synthesis of 2-(4-fluorobenzoyl) substituted pyrimidine derivatives.