HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,6-Dichlor-5-methoxypyrimidin
2,4-dimethoxy-2-methylmercapyrimidine · 6-Dichloro-5-MethoxypyriMidine · 4,6-Dichlor-5-methoxypyrimidin · 5-methox-4,6-Dichloropyrimidin · 4,6-Dichloro-5-methypyrimidine · 2,4-Dichloro-5-MetoxyPyriMidine · 5-Methoxy-4,6-dichloropyriMidine · 4,6-DICHLORO-5-METHOXYPYRIMIDINE
Identifikatoren & physikalische Daten
| CAS No. | 5018-38-2 |
|---|---|
| Summenformel | C5H4Cl2N2O |
| Durchschnittliche Molmasse | 179 g/mol |
| Monoisotopische Masse | 177,97006811 g/mol |
| SMILES | COc1c(Cl)ncnc1Cl |
| InChIKey | IJQIGKLDBGKSNT-UHFFFAOYSA-N |
| PubChem CID | 78720 |
| EC No. | 225-699-1 |
| DTXSID | DTXSID90198228 |
| Lokaler Name | 4,6-Dichlor-5-methoxypyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 104 |
| Schmelzpunkt | 54-58 °C |
| Siedepunkt | 257.8±35.0 °C(Predicted) |
| Dichte | 1.446±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -4.13±0.26(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3 |
| InChIKey | IJQIGKLDBGKSNT-UHFFFAOYSA-N |
| SMILES | C1=NC(Cl)=C(OC)C(Cl)=N1 |
| CAS Datenbank | 5018-38-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933599590 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
4,6-Dichloro-5-methoxypyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.