HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methyl-5-nitrouracil
NSC 40201 · 6-Methyl-5-Nit · -5-nitropyrimidine · 6-metyl-5-nitrouracil · 6-methyl-5-nitrouracil · 5-NITRO-6-METHYLURACIL · 2,4-Dihydroxy-6-methyL · 6-Methyl-5-nitrouracil >5-Nitro-6-methyluracil ,98%
Identifikatoren & physikalische Daten
| CAS No. | 16632-21-6 |
|---|---|
| Summenformel | C5H5N3O4 |
| Durchschnittliche Molmasse | 171,11 g/mol |
| Monoisotopische Masse | 171,02800565 g/mol |
| SMILES | Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] |
| InChIKey | LIVYMRJSNFHYEN-UHFFFAOYSA-N |
| PubChem CID | 85523 |
| ChEMBL | CHEMBL3275229 |
| EC No. | 240-688-1 |
| DTXSID | DTXSID80168091 |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 300 |
| Schmelzpunkt | 290-291°C dec. |
| Dichte | 1.58±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMF, DMSO, Hot Methanol, Hot WaterSoluble in DMF, DMSO, hot methanol and hot water. |
| pKa (Säurekonstante) | 6.24±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light Yellow Crystalline |
| InChI | InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10) |
| InChIKey | LIVYMRJSNFHYEN-UHFFFAOYSA-N |
| SMILES | C1(=O)NC(C)=C([N+]([O-])=O)C(=O)N1 |
| CAS Datenbank | 16632-21-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Skin Irrit. 2 (100%)Eye Dam. 1 (97.6%)STOT SE 3 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 22-37/38-41-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39-36-22 |
Anwendungen & Verwendung
Verwenden
5-Nitro-6-methyluracil, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.