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3,5-Bis(trifluormethyl)benzoylchlorid
MBT-BOC · SKL1270 · TIMTEC-BB SBB006571 · Benzoyl Chloride, 3 · 3,5-BIS(TRIFLUOROMETHYL)BENZOYCHLORIDE · 3,5-DI(TRIFLUOROMETHYL)BENZOYL CHLORIDE · 3,5-BIS(TRIFLUOROMETHYL)BENZOYL CHLORIDE · 3,5-Bis(trifluoromethyl)benzoylchloride98%
Identifikatoren & physikalische Daten
| CAS No. | 785-56-8 |
|---|---|
| Summenformel | C9H3ClF6O |
| Durchschnittliche Molmasse | 276,56 g/mol |
| Monoisotopische Masse | 275,97766172 g/mol |
| SMILES | O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChIKey | WAKMMQSMEDJRRI-UHFFFAOYSA-N |
| PubChem CID | 101856 |
| EC No. | 212-322-0 |
| DTXSID | DTXSID30229126 |
| Lokaler Name | 3,5-Bis(trifluormethyl)benzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 275 |
| Schmelzpunkt | 5-10C |
| Siedepunkt | 65-67 °C (12 mmHg) |
| Dichte | 1.526 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.435(lit.) |
| Flammpunkt | 162 °F |
| Lagerbedingungen | Store at room temperature, keep dry and cool |
| Aggregatzustand | Liquid |
| Wichte | 1.526 (20/4℃) |
| Farbe | Clear colorless to very slightly yellow |
| BRN | 2593440 |
| InChI | 1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H |
| InChIKey | WAKMMQSMEDJRRI-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(Cl)=O |
| CAS Datenbank | 785-56-8(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 47 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163990 |
| R-Sätze (R) | 34-37-36 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-Bis(trifluoromethyl)benzoyl chloride was used in the quantitative and selective assay for the measurement of low levels of clonidine in human plasma.