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3,4,5-Trifluorobenzoyl chloride
SKL1228 · Lasmiditan Impurity 50 · 3,4,5-Trifluorobenzoyl chloride · Benzoyl chloride,3,4,5-trifluoro- · 3,4,5-Trifluorobenzoyl chloride 97% · Benzoyl chloride, 3,4,5-trifluoro- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 177787-26-7 |
|---|---|
| Summenformel | C7H2ClF3O |
| Durchschnittliche Molmasse | 194,54 g/mol |
| Monoisotopische Masse | 193,9746269 g/mol |
| SMILES | O=C(Cl)c1cc(F)c(F)c(F)c1 |
| InChIKey | YRUNCQNKZIQTEO-UHFFFAOYSA-N |
| PubChem CID | 2777023 |
| EC No. | 623-691-6 |
| DTXSID | DTXSID60938991 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 175 |
| Schmelzpunkt | 122-123℃ |
| Siedepunkt | 173-174 °C (lit.) |
| Dichte | 1.4850 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.4900(lit.) |
| Flammpunkt | 154 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | liquid |
| Farbe | Clear, faint yellow |
| InChI | 1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H |
| InChIKey | YRUNCQNKZIQTEO-UHFFFAOYSA-N |
| SMILES | Fc1cc(cc(F)c1F)C(Cl)=O |
| CAS Datenbank | 177787-26-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.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 | Skin Corr. 1B (100%)Eye Dam. 1 (100%)Skin Corr. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 2916399090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,4,5-Trifluorobenzoyl chloride may be used as one of the reactant to synthesize 3,4,5-trifluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-pyridin-2-ylbenzamide.