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2,4-Dichlor-5-methylpyrimidin
4-Dichloro-5-MethylpyriMidine · NSC 37532 · Toxic,stench · 2,4-Dichloro-5- · 2,4-Dichloro-5-methy · Dichloro-5-MethylpyriMid · 2,4-Dichloro-5-Methylpyri... · 5-Methyl-2,4-dichloropyrimidine
Identifikatoren & physikalische Daten
| CAS No. | 1780-31-0 |
|---|---|
| Summenformel | C5H4Cl2N2 |
| Durchschnittliche Molmasse | 163 g/mol |
| Monoisotopische Masse | 161,97515349 g/mol |
| SMILES | Cc1cnc(Cl)nc1Cl |
| InChIKey | DQXNTSXKIUZJJS-UHFFFAOYSA-N |
| PubChem CID | 74508 |
| EC No. | 217-227-8 |
| DTXSID | DTXSID9061962 |
| Lokaler Name | 2,4-Dichlor-5-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 | 26-28 °C (lit.) |
| Siedepunkt | 108-109 °C/11 mmHg (lit.) |
| Dichte | 1.39 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.6300 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in chloroform, ether, ethyl acetate and toluene |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | -2.44±0.29(Predicted) |
| Farbe | White or Colorless to Almost white or Almost colorless |
| InChI | InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3 |
| InChIKey | DQXNTSXKIUZJJS-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(C)C(Cl)=N1 |
| CAS Datenbank | 1780-31-0(CAS DataBase Reference) |
| EPA chemische Informationen | Pyrimidine, 2,4-dichloro-5-methyl- (1780-31-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (92.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (92.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29335990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4-Dichloro-5-methylpyrimidine, is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine. It can react with piperidineto produce 2-chloro-5-methyl-4-piperidin-1-yl-pyrimidine. This reaction will need solvent dioxane.