HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorbenzaldehyd
Benzaldehyde, 3-fluoro- · M-FLUOROBENZALDEHYDE · meta-Fluorobenzaldehyde · AKOS BBS-00003262 · 3-Fluorbenzaldehyd · Fluorobenzaldehyde2 · 3-fluoro-benzaldehyd · 3-FLUOROBENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 456-48-4 |
|---|---|
| Summenformel | C7H5FO |
| Durchschnittliche Molmasse | 124,11 g/mol |
| Monoisotopische Masse | 124,032443 g/mol |
| SMILES | O=Cc1cccc(F)c1 |
| InChIKey | PIKNVEVCWAAOMJ-UHFFFAOYSA-N |
| PubChem CID | 68009 |
| ChEMBL | CHEMBL3884568 |
| ChEBI | CHEBI:156102 |
| EC No. | 207-266-9 |
| DTXSID | DTXSID9060027 |
| Lokaler Name | 3-Fluorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 173 C |
| Siedepunkt | 66-68 °C20 mm Hg(lit.) |
| Dichte | 1.17 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.518(lit.) |
| Flammpunkt | 134 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Liquid |
| Wichte | 1.170 |
| Farbe | Clear colorless to yellow |
| BRN | 970178 |
| InChI | 1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H |
| InChIKey | PIKNVEVCWAAOMJ-UHFFFAOYSA-N |
| SMILES | Fc1cccc(C=O)c1 |
| CAS Datenbank | 456-48-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3-FC6H4CHO(456-48-4) |
| EPA chemische Informationen | Benzaldehyde, 3-fluoro- (456-48-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (98%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 37/38-36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 24/25-37/39-26-36/37/39-27 |
| Gefahrenklasse | 3Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzaldehyde is a monofluorinated aromatic aldehyde with potential antimicrobial activity. 3-Fluorobenzaldehyde showed inhibitory effects on the activity of mushroom tyrosinase.