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6-Methyluracil
6-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE · 2,4-DIHYDROXY-6-METHYLPYRIMIDINE · 6-METHYLPYRIMIDINE-2,4-DIOL · 6-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE · Metacyl · Metacil · Methacyl · Methacil
Identifikatoren & physikalische Daten
| CAS No. | 626-48-2 |
|---|---|
| Summenformel | C5H6N2O2 |
| Durchschnittliche Molmasse | 126,11 g/mol |
| Monoisotopische Masse | 126,04292743 g/mol |
| SMILES | Cc1cc(=O)[nH]c(=O)[nH]1 |
| InChIKey | SHVCSCWHWMSGTE-UHFFFAOYSA-N |
| PubChem CID | 12283 |
| ChEMBL | CHEMBL1650614 |
| ChEBI | CHEBI:74733 |
| EC No. | 210-949-4 |
| DTXSID | DTXSID8052308 |
| Lokaler Name | 6-Methyluracil |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 195 |
| pH | AQ SOLN 13 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | -0.77 |
| Color/Form | CRYSTALS FROM GLACIAL ACETIC ACIDOCTAHEDRAL PRISMS OR NEEDLES FROM WATER OR ALCOHOL |
| Löslichkeit | SOL IN WATER, ETHER, ALKALI, AMMONIA, HOT ALCOHOLDMSO (Slightly), Methanol (Slightly, Heated, Sonicated)7 g/L (22 ºC) |
| Collision Cross Section | 120.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8052308] |
| Other Experimental Properties | DECOMP ABOVE 300 °CUV: 6-43 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Uracil, 1-methyl/UV: 6-43 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Uracil, 3-methyl/ |
| Schmelzpunkt | 318 °C (dec.)(lit.) |
| Dichte | 1.226±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | pK1:9.52 (25°C) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White to almost white |
| Merck | 14,6133 |
| BRN | 115647 |
| InChI | InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9) |
| InChIKey | SHVCSCWHWMSGTE-UHFFFAOYSA-N |
| SMILES | C1(=O)NC(C)=CC(=O)N1 |
| CAS Datenbank | 626-48-2(CAS DataBase Reference) |
| NIST chemische Informationen | 6-Methyluracil(626-48-2) |
| EPA chemische Informationen | 2,4(1H,3H)-Pyrimidinedione, 6-methyl- (626-48-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2,4(1H,3H)-Pyrimidinedione, 6-methyl-6-Methyluracil: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Repr. 2 (100%) |
| Wechselwirkungen | XYLOL (43.46 MG/CU M), TOLUENE (24.28 MG/CU M), OR BUTYL ACETATE (209.91 MG/CU M) INHALED 5 HR DAILY FOR 4 MONTHS DECREASED SERUM ALBUMIN & INCREASED SERUM BETA- & GAMMA-GLOBULIN & BETA-LIPOPROTEIN LEVELS IN RATS. 4-METHYLURACIL ADDED TO FOOD OF RATS DURING INHALATION NORMALIZED THE LIPID & PROTEIN METABOLIC INDEXES. PROPHYLACTIC USE OF THESE PREPN IN TANNING INDUSTRY WORKERS IS SUGGESTED. |
| Non-Human Toxicity Excerpts | ...INJECTED CHICK EGGS WITH 4 MG...PRODUCED ABNORMALITIES OF BRAIN OR EYE IN 24%. NO DEFECTS WERE PRODUCED IN RAT FETUSES WHEN THE MOTHER RECEIVED 3000 MG/KG OF BODY WEIGHT ON THE 9TH & 10TH DAY OF GESTATION.6-METHYLURACIL INHIBITED GERMINATION OF CICER ARIETINUM SEEDS (A SYSTEM USED TO SIMULATE EMBRYONIC TISSUE).WITH AN AGAR DIFFUSION TEST, IT WAS SHOWN THAT THERE ARE SUBSTANCES WITH STIMULATING OR INHIBITING ACTION, RESPECTIVELY, ON THE INDUCIBILITY OF PROPHAGES. THE PROPHAGES (LAMBDA +) & (LAMBDA IND S) EXHIBIT DIFFERENT REACTIONS ON EXPOSURE OF RESPECTIVE LYSOGENIC STRAINS AGAINST SOME SUBSTANCES TESTED. A SMALL SELECTION OF EFFECTIVE SUBSTANCES WERE QUALITATIVELY TESTED ON THE NONLYSOGENIC STRAIN ESCHERICHIA COLI C600 T44 & ON THE LYSOGENIC COMPLEX ESCHERICHIA COLI C600 T44 (LAMBDA IND-), THE PROPHAGE OF WHICH IS KNOWN TO BE NOT INDUCIBLE BY UV LIGHT. 6-METHYLURACIL DID NOT INDUCE (LAMBDA +) OR (LAMBDA IND S) PROPHAGES IN ESCHERICHIA COLI C600 T44 STRAINS.6-METHYLURACIL ADMIN ORALLY TO RATS AT 50 MG/KG DAILY FOR 30 DAYS INCR MUSCLE MITOCHONDRIAL PROTEIN CONTENT, SOMEWHAT INCREASED OXYGEN CONSUMPTION & PHOSPHATE DEMINERALIZATION, BUT DID NOT AFFECT OXIDATIVE PHOSPHORYLATION DURING MUSCULAR EXERCISE.For more Non-Human Toxicity Excerpts (Complete) data for 6-METHYLURACIL (9 total), please visit the HSDB record page. |
Anwendungen & Verwendung
Verwenden
6-Methyluracil (cas# 626-48-2) is a compound useful in organic synthesis.
Herstellung & Synthese
synthetische
6-Methyluracil [626-48-2]. is produced by condensation of diketene with urea. It is used in the production of the analgesic mepirizole, the feed additive orotic acid, and 5-aminoorotic acid.