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p-(Trifluormethyl)benzaldehyd
P-TRIFLUOROMETHYLBENZALDEHYDE · PTF-BAD · 4-(TrifL · AKOS BBS-00003257 · LABOTEST-BB LT00616270 · 4-Trifluormethyl-benzaldehyd · 4-(trifluoromethy)benzaldehyd · 4-(TRIFLUOROMETHY)BENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 455-19-6 |
|---|---|
| Summenformel | C8H5F3O |
| Durchschnittliche Molmasse | 174,12 g/mol |
| Monoisotopische Masse | 174,02924944 g/mol |
| SMILES | O=Cc1ccc(C(F)(F)F)cc1 |
| InChIKey | BEOBZEOPTQQELP-UHFFFAOYSA-N |
| PubChem CID | 67996 |
| ChEMBL | CHEMBL4473405 |
| ChEBI | CHEBI:156309 |
| EC No. | 207-240-7 |
| DTXSID | DTXSID0060016 |
| Lokaler Name | p-(Trifluormethyl)benzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 1-2°C |
| Siedepunkt | 66-67 °C13 mm Hg(lit.) |
| Dichte | 1.275 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.463(lit.) |
| Flammpunkt | 150 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | 1.5g/lSoluble in water. 1.5 g/L at 20°C |
| Aggregatzustand | Liquid |
| Wichte | 1.275 |
| Farbe | Clear colorless to yellow |
| BRN | 1101680 |
| InChI | 1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey | BEOBZEOPTQQELP-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(cc1)C(F)(F)F |
| CAS Datenbank | 455-19-6(CAS DataBase Reference) |
| NIST chemische Informationen | p-CF3C6H4CHO(455-19-6) |
| EPA chemische Informationen | Benzaldehyde, 4-(trifluoromethyl)- (455-19-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-(Trifluoromethyl)-benzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (16.4%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT, AIR SENSITIVEAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethyl)benzaldehyde is a reactant that has been used in the preparation of N,N''-(Arylmethylene)bisamides with cytotoxic activity as anti cancer agents.