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2,4-Dichlor-6-methylpyrimidin
6-Methyl-2,4-dichloropyriMidine · 2,6-DICHLORO-4-METHYLPYRIMIDINE · NSC 13199 · AKOS BBS-00005839 · 4-Dichloro-6-MethylpyriMidine · 2,4-DICHLORO-6-METHYLPYRIMIDE · 2,4-dichloro-6-methyl-pyrimidin · 2,4-DICHLORO-6-METHYLPYRIMIDINE
Identifikatoren & physikalische Daten
| CAS No. | 5424-21-5 |
|---|---|
| Summenformel | C5H4Cl2N2 |
| Durchschnittliche Molmasse | 163 g/mol |
| Monoisotopische Masse | 161,97515349 g/mol |
| SMILES | Cc1cc(Cl)nc(Cl)n1 |
| InChIKey | BTLKROSJMNFSQZ-UHFFFAOYSA-N |
| PubChem CID | 79471 |
| EC No. | 226-563-4 |
| DTXSID | DTXSID0063868 |
| Lokaler Name | 2,4-Dichlor-6-methylpyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 44-47 °C (lit.) |
| Siedepunkt | 219 °C (lit.) |
| Dichte | 1.5462 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Very Slightly, Heated, Sonicated), DMSO (Sparingly, Heated)Soluble in Chloroform, Ether, Ethyl Acetate and Toluene. Insoluble in water. |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -2.12±0.30(Predicted) |
| Farbe | White to Orange to Green |
| BRN | 114295 |
| InChI | InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3 |
| InChIKey | BTLKROSJMNFSQZ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(C)=CC(Cl)=N1 |
| CAS Datenbank | 5424-21-5(CAS DataBase Reference) |
| EPA chemische Informationen | Pyrimidine, 2,4-dichloro-6-methyl- (5424-21-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3263 8/PG 2 |
| Zollcode | 29335990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4-Dichloro-6-methylpyrimidine is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine.