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α,α,α-Trifluor-p-toluoylchlorid
4-(TRIFLUOROMETHYL)BENZOYL CHLORIDE · SKL744 · PTF-BOC · SKL1276 · RSYY（Avanafil)-60 · TIMTEC-BB SBB003467 · α,α,α-Trifluor-p-toluoylchlorid · 4-(TRIFLUOROMETHYL)BENZOYL CHL
Identifikatoren & physikalische Daten
| CAS No. | 329-15-7 |
|---|---|
| Summenformel | C8H4ClF3O |
| Durchschnittliche Molmasse | 208,56 g/mol |
| Monoisotopische Masse | 207,99027709 g/mol |
| SMILES | O=C(Cl)c1ccc(C(F)(F)F)cc1 |
| InChIKey | OXZYBOLWRXENKT-UHFFFAOYSA-N |
| PubChem CID | 67607 |
| EC No. | 206-342-9 |
| DTXSID | DTXSID6059817 |
| Lokaler Name | α,α,α-Trifluor-p-toluoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 194 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | -3°C |
| Siedepunkt | 188-190 °C(lit.) |
| Dichte | 1.404 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.476(lit.) |
| Flammpunkt | 173 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.404 |
| Farbe | Clear colorless to yellow |
| Löslichkeit | decomposes |
| BRN | 391282 |
| InChI | 1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H |
| InChIKey | OXZYBOLWRXENKT-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(cc1)C(Cl)=O |
| CAS Datenbank | 329-15-7(CAS DataBase Reference) |
| NIST chemische Informationen | 4-(Trifluoromethyl)benzoyl chloride(329-15-7) |
| EPA chemische Informationen | Benzoyl chloride, 4-(trifluoromethyl)- (329-15-7) |
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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 34-29 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45-8 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethyl)benzoyl chloride is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.