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2-Chloro-4-methoxypyrimidine
2-Chloro-4-methoxypyrimidine 98% · 2-Chloro-4-methoxypyrimidine · 2-chloro-4-methoxy pyrimdine · 2-Chloro-6-methoxypyrimidine · 2-Chloro-4-methoxy-1,2-diazine · Pyrimidine, 2-chloro-4-methoxy- · Pyrimidine, 2-chloro-4-methoxy- (6CI,8CI,9CI) · 2-CHLORO-4-METHOXYPYRIMIDINE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 22536-63-6 |
|---|---|
| Summenformel | C5H5ClN2O |
| Durchschnittliche Molmasse | 144,56 g/mol |
| Monoisotopische Masse | 144,00904046 g/mol |
| SMILES | COc1ccnc(Cl)n1 |
| InChIKey | BDXYNMVQMBCTDB-UHFFFAOYSA-N |
| PubChem CID | 588935 |
| EC No. | 628-512-5 |
| DTXSID | DTXSID40343307 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 35 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 91 |
| Schmelzpunkt | 54-57 °C (lit.) |
| Siedepunkt | 96-97 °C(Press: 18 Torr) |
| Dichte | 1.292±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 0.07±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to yellow |
| InChI | 1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3 |
| InChIKey | BDXYNMVQMBCTDB-UHFFFAOYSA-N |
| SMILES | COc1ccnc(Cl)n1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-methoxypyrimidine is a pharmaceutical intermediate compound used in the preparation of Rilpivirine, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of Human Immunodeficiency Virus (HIV) infections, which prevents the replication of the virus.