HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Dichloro-5-methoxypyrimidine
SPECS AO-324/25087002 · Acrylamide Impurity 23 · oro-5-methoxypyrimidine · 4-Dichloro-5-Methoxy pyriMidine · 2,4-Dichloro-5-methoxpyrimidine · 2,4-Dichloro-5-methoxypyrimidine · 2,4-AICHLORO-5-METHOXY PYRIMIDINE · 5-METHOXY-2,4-DICHLORO PYRIMIDINE
Identifikatoren & physikalische Daten
| CAS No. | 19646-07-2 |
|---|---|
| Summenformel | C5H4Cl2N2O |
| Durchschnittliche Molmasse | 179 g/mol |
| Monoisotopische Masse | 177,9700681 g/mol |
| SMILES | COc1cnc(Cl)nc1Cl |
| InChIKey | ZTHHRSBDBPCCMZ-UHFFFAOYSA-N |
| PubChem CID | 601401 |
| EC No. | 628-558-6 |
| DTXSID | DTXSID00345044 |
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 | 114 |
| Schmelzpunkt | 66-70 °C |
| Siedepunkt | 259.9±20.0 °C(Predicted) |
| Dichte | 1.446±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -2.67±0.29(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3 |
| InChIKey | ZTHHRSBDBPCCMZ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(OC)C(Cl)=N1 |
| CAS Datenbank | 19646-07-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Skin Irrit. 2 (97.6%)Eye Dam. 1 (95.2%)STOT SE 3 (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 22-37/38-41 |
| Gefahrensymbole | Xi,C,Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | IRRITANT, CORROSIVEAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Dichloro-5-methoxypyrimidine can be used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.