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2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
BUTTPARK 37\18-31 · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl · 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride · 5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)- · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride97% · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride 97%
Identifikatoren & physikalische Daten
| CAS No. | 154934-99-3 |
|---|---|
| Summenformel | C6HCl2F3N2O |
| Durchschnittliche Molmasse | 244,98 g/mol |
| Monoisotopische Masse | 243,94180267 g/mol |
| SMILES | O=C(Cl)c1cnc(Cl)nc1C(F)(F)F |
| InChIKey | BTRSILVUNQWNDR-UHFFFAOYSA-N |
| PubChem CID | 2736708 |
| EC No. | 672-004-6 |
| DTXSID | DTXSID80371543 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 236 |
| Schmelzpunkt | 158 °C |
| Siedepunkt | 54°C 0,15mm |
| Dichte | 1.658±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | -6.23±0.29(Predicted) |
| Farbe | Clear, dark yellow |
| CAS Datenbank | 154934-99-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| UN-Transportnummer | 3265 |
| Zollcode | 29335990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | CORROSIVE |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl Chloride can be used to treat Rett Syndrome, acute coronary syndrome and related conditions. It can also be utilized in agrochemical anti-microbial agents.