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4-Methylpyrimidin
4-MP · 4-Methlpyrimidine · 6-METHYLPYRIMIDINE · 4-METHYLPYRIMIDINE · 4-methyl-pyrimidin · 4-Methyl-1,3-diazine · Pyrimidine,4-methyl- · 4-Methylpyrimidine>4-Methylpyrimidine,98%
Identifikatoren & physikalische Daten
| CAS No. | 3438-46-8 |
|---|---|
| Summenformel | C5H6N2 |
| Durchschnittliche Molmasse | 94,11 g/mol |
| Monoisotopische Masse | 94,0530982 g/mol |
| SMILES | Cc1ccncn1 |
| InChIKey | LVILGAOSPDLNRM-UHFFFAOYSA-N |
| PubChem CID | 18922 |
| EC No. | 222-344-2 |
| DTXSID | DTXSID5063027 |
| Lokaler Name | 4-Methylpyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 54 |
| Dampfdruck | 4.63 [mmHg] |
| Physical Description | Colorless liquid with an amine-like odor[Evonik MSDS] |
| Kovats Retention Index | 8198278531328 |
| Schmelzpunkt | 32°C |
| Siedepunkt | 141-142 °C (lit.) |
| Dichte | 1.031 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.496(lit.) |
| Flammpunkt | 105 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in Chloroform, Methanolmiscible |
| pKa (Säurekonstante) | 2.02±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| BRN | 105781 |
| InChI | 1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3 |
| InChIKey | LVILGAOSPDLNRM-UHFFFAOYSA-N |
| SMILES | Cc1ccncn1 |
| CAS Datenbank | 3438-46-8(CAS DataBase Reference) |
| NIST chemische Informationen | Pyrimidine, 4-methyl-(3438-46-8) |
| EPA chemische Informationen | Pyrimidine, 4-methyl- (3438-46-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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.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 | 4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | See Pyrimidine. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29335995 |
| R-Sätze (R) | 10-61 |
| Gefahrensymbole | T,F,Xi |
| Sicherheitshinweise (S) | 16-53-45 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Methylpyrimidine was used in the synthesis of crystalline trans-[RuCl(3)(NO)L(2)] complexes. 4-Methylpyrimidine was also used to bridge dinuclear oxovanadium(IV) complexes.