4,6-Dimethylpyrimidin-2-ol
4,6-DIMETHYLPYRIMIDIN-2-OL · 2-HYDROXY-4,6-DIMETHYLPYRIMIDINE · 4,6-Dimethyl-2-pyrimidone · 4,6-dimethyl-1,2-dihydro-2-pyrimidone · TIMTEC-BB SBB004271 · 4,6-Dimethyl-2-pyrimidol · 4,6-DIMETHYL-2-PYRIMIDINOL · 4,6-Dimethyl-2-pyrimidinone
Identifikatoren & physikalische Daten
| CAS No. | 108-79-2 |
|---|---|
| Summenformel | C6H8N2O |
| Durchschnittliche Molmasse | 124,143 g/mol |
| Monoisotopische Masse | 124,06366288 g/mol |
| SMILES | Cc1cc(C)[nH]c(=O)n1 |
| InChIKey | WHEQVHAIRSPYDK-UHFFFAOYSA-N |
| PubChem CID | 9508 |
| ChEMBL | CHEMBL3706457 |
| EC No. | 203-617-5 |
| DTXSID | DTXSID5043762 |
| Lokaler Name | 4,6-Dimethylpyrimidin-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 203 |
| Schmelzpunkt | 201-205 °C |
| Siedepunkt | 230.92°C (rough estimate) |
| Dichte | 1.1683 (rough estimate) |
| Brechungsindex | 1.5378 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 10.34±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Yellow |
| CAS Datenbank | 108-79-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4,6-Dimethyl-2-pyrimidinol(108-79-2) |
| EPA chemische Informationen | 2(1H)-Pyrimidinone, 4,6-dimethyl- (108-79-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).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 | Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-Regulation (EC) No 1831/2003 (amended) |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (83.3%)Eye Irrit. 2 (83.3%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-45-37-28 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Beschreibung
4,6-Dimethyl-2-hydroxypyrimidine (4,6-DHP) is a synthetic pyrimidine analogue classified as a functional nutritional compound[6]. The hydrochloride salt serves as a precursor for synthesizing 4,6-dimethyl-2-chloropyrimidine via reaction with phosphorus oxychloride[4]. It acts as a ligand in coordination chemistry, reacting with copper(II) perchlorate in aqueous ammonia to form [(NH3)2Cu(dmpymo)](ClO4)·2H2O, and with palladium complexes to yield [(dach)Pd(2-dmpymo)]4(NO3)4[5][7].
Verwenden
4,6-Dimethyl-2-hydroxypyrimidine is a component of Nicarbazine (N394530), a coccidiostat, which is an antiprotozoal agent that acts upon Coccidia parasites.