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2-Chloro-4,6-dimethylpyrimidine
NSC 49016 · AKOS BBS-00002114 · IFLAB-BB F2130-0005 · CHEMBRDG-BB 4900312 · 2-chloro-4,6-dimethyl-pyrimidin · 2-CHLORO-4,6-DIMETHYLPYRIMIDINE · 2-Chloro-3,5-dimethylpyrimidine · 4,6-DiMethyl-2-chloropyriMidine
Identifikatoren & physikalische Daten
| CAS No. | 4472-44-0 |
|---|---|
| Summenformel | C6H7ClN2 |
| Durchschnittliche Molmasse | 142,58 g/mol |
| Monoisotopische Masse | 142,0297759 g/mol |
| SMILES | Cc1cc(C)nc(Cl)n1 |
| InChIKey | RZVPFDOTMFYQHR-UHFFFAOYSA-N |
| PubChem CID | 20550 |
| EC No. | 624-997-2 |
| DTXSID | DTXSID90196284 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Stoffklassen | Nitrogen Compounds -> Pyrimidines |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 34-36 |
| Siedepunkt | 212 °C |
| Dichte | 1,03g/cm |
| Brechungsindex | 1,428 |
| Flammpunkt | 110℃ |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Methanol |
| pKa (Säurekonstante) | 0.09±0.30(Predicted) |
| Aggregatzustand | Powder, Crystalline Powder or Low Melting Solid |
| Farbe | White to yellow |
| InChIKey | RZVPFDOTMFYQHR-UHFFFAOYSA-N |
| CAS Datenbank | 4472-44-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Chloro-4,6-dimethylpyrimidine(4472-44-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (82.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Causes convulsions and muscle weakness in intraperitoneal lethal-dose studies of mice[RTECS] An irritant[Matrix Scientific MSDS] See Pyrimidine. |
| Hazard Classes and Categories | Acute Tox. 4 (82.7%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| UN-Transportnummer | UN 2265 |
| Zollcode | 29335990 |
| RTECS-Nr. | UV8000000 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2-Chloro-4,6-dimethylpyrimidine is a chlorinated pyrimidine with antiviral activity.