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4-Fluorbenzaldehyd
PFBA · P-FLUOROBENZALDEHYDE · PFAD · Benzaldehyde, 4-fluoro- · NSC 68095 · JACS-459-57-4 · AKOS BBS-00003166 · 4-Fluorbenzaldehyd
Identifikatoren & physikalische Daten
| CAS No. | 459-57-4 |
|---|---|
| Summenformel | C7H5FO |
| Durchschnittliche Molmasse | 124,11 g/mol |
| Monoisotopische Masse | 124,032443 g/mol |
| SMILES | O=Cc1ccc(F)cc1 |
| InChIKey | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| PubChem CID | 68023 |
| ChEMBL | CHEMBL3183207 |
| EC No. | 207-293-6 |
| DTXSID | DTXSID0038756 |
| Lokaler Name | 4-Fluorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 95,1 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | -10 °C (lit.) |
| Siedepunkt | 181 °C/758 mmHg (lit.) |
| Dichte | 1.157 g/mL at 25 °C (lit.) |
| Dampfdruck | 19 hPa (70 °C) |
| Brechungsindex | n20/D 1.521(lit.) |
| Flammpunkt | 134 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform, MethanolIMMISCIBLE |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Wichte | 1.157 |
| BRN | 385857 |
| Stabilität | Air Sensitive |
| InChI | 1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
| InChIKey | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(F)cc1 |
| CAS Datenbank | 459-57-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 4-fluoro-(459-57-4) |
| EPA chemische Informationen | Benzaldehyde, 4-fluoro- (459-57-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (82.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 4-fluoro-Status: Active Update: 02-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/206214-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (82.4%)Flammable liquids - Category 3 |
| F | 9-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 26-36-37/39-36/37/39-27 |
| Gefahrenklasse | 3.2Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutic al compounds.