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p-(Trifluormethoxy)benzaldehyd
uoromethoxy)benzaL · Pretomanid Impurity 3 · α,α,α-trifluoroanisaldehyde · 4-trifluoromethoxylbenzaldehyde · -(Trifluoromethoxy)benzaldehyde · On trifluoroMethoxy benzaldehyde · P-(TRIFLUOROMETHOXY)BENZALDEHYDE · 4-(TRIFLUOROMETHOXY)BENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 659-28-9 |
|---|---|
| Summenformel | C8H5F3O2 |
| Durchschnittliche Molmasse | 190,12 g/mol |
| Monoisotopische Masse | 190,02416406 g/mol |
| SMILES | O=Cc1ccc(OC(F)(F)F)cc1 |
| InChIKey | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| PubChem CID | 69573 |
| ChEMBL | CHEMBL4545827 |
| EC No. | 211-531-4 |
| DTXSID | DTXSID60216105 |
| Lokaler Name | p-(Trifluormethoxy)benzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 171 |
| SpringerMaterials Properties | Chemical shift |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 93 °C27 mm Hg(lit.) |
| Dichte | 1.331 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | 159 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.331 |
| Farbe | Clear colorless to pale yellow-green |
| BRN | 1949135 |
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(OC(F)(F)F)C=C1 |
| CAS Datenbank | 659-28-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 4-(trifluoromethoxy)-(659-28-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38-36/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethoxy)benzaldehyde is suitable for use in the synthesis of (E)-4-(trifluoromethoxy)benzaldehyde thiosemicarbazone. It may be used in the synthesis of:new azo dyes containing of 5(4H)-oxazolone ring2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole(E)-2-[4-(trifluoromethoxy)benzylidene]indan-1-one.