HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-5-methoxypyrimidine
2-Chloro-5-methoxypyrimidine · PyriMidine,2-chloro-5-Methoxy- · 2-Chloro-5-methoxypyrimidine >2-Chloro-5-MethoxypyriMidine 97% · 2-CHLORO-5-(METHOXY-D3)PYRIMIDINE · 2-Chloro-5-methoxypyrimidine, 97%, · Pyrimidine, 2-chloro-5-methoxy- (8CI,9CI) · 2-Chloro-5-methoxypyrimidine ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 22536-65-8 |
|---|---|
| Summenformel | C5H5ClN2O |
| Durchschnittliche Molmasse | 144,56 g/mol |
| Monoisotopische Masse | 144,00904046 g/mol |
| SMILES | COc1cnc(Cl)nc1 |
| InChIKey | RSUBGBZOMBTDTI-UHFFFAOYSA-N |
| PubChem CID | 589058 |
| EC No. | 636-584-4 |
| DTXSID | DTXSID60343329 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| Schmelzpunkt | 73-78℃ |
| Siedepunkt | 268.8±13.0 °C(Predicted) |
| Dichte | 1.292±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -1.26±0.22(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C5H5ClN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3 |
| InChIKey | RSUBGBZOMBTDTI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(OC)C=N1 |
| CAS Datenbank | 22536-65-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (93%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-methoxypyrimidine is used in the regioselective synthesis of aminoimidazopyrimidines with triflic anhydride and pyridine bases