HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluorphenylessigsaeure
2-(4-FLUOROPHENYL)ACETIC ACID · P-FLUOROPHENYLACETIC ACID · Benzeneacetic acid, 4-fluoro- · NSC 402 · Ba 2821 · RARECHEM AL BO 0131 · 4-Fluorophenylacetic · Of the acid fluoride
Identifikatoren & physikalische Daten
| CAS No. | 405-50-5 |
|---|---|
| Summenformel | C8H7FO2 |
| Durchschnittliche Molmasse | 154,14 g/mol |
| Monoisotopische Masse | 154,04300768 g/mol |
| SMILES | O=C(O)Cc1ccc(F)cc1 |
| InChIKey | MGKPFALCNDRSQD-UHFFFAOYSA-N |
| PubChem CID | 9837 |
| EC No. | 206-972-4 |
| DTXSID | DTXSID0059956 |
| Lokaler Name | 4-Fluorphenylessigsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Arzneimittel | Pharmaceuticals -> Metabolite of Pipamperone |
| LogP (Verteilungskoeffizient) | 1.6 |
| Schmelzpunkt | 81-83 °C (lit.) |
| Siedepunkt | 164°C (2.25 torr) |
| Dichte | 1.1850 (estimate) |
| Flammpunkt | >100°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | pK1:4.25 (25°C) |
| Aggregatzustand | Shiny Crystalline Powder or Flakes |
| Farbe | White |
| Löslichkeit | Insoluble in water. |
| Merck | 14,4177 |
| BRN | 972145 |
| InChI | InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | MGKPFALCNDRSQD-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(F)C=C1 |
| CAS Datenbank | 405-50-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneacetic acid, 4-fluoro-(405-50-5) |
| EPA chemische Informationen | Benzeneacetic acid, 4-fluoro- (405-50-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.WarningH315 (98%): 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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzeneacetic acid, 4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| R-Sätze (R) | 38-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-27-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluorophenylacetic acid is used as an intermediate in the production of fluorinated anesthetics.