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4-Fluormandelsaeure
2-(4-fluorophenyl)-2-hydroxyacetic acid · D1291 · NSC73990 · ST5406904 · NCI60_041621 · EINECS 206-899-8 · 4-fluormandelic acid · 4-FLUOROMANDELIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 395-33-5 |
|---|---|
| Summenformel | C8H7FO3 |
| Durchschnittliche Molmasse | 170,14 g/mol |
| Monoisotopische Masse | 170,0379223 g/mol |
| SMILES | O=C(O)C(O)c1ccc(F)cc1 |
| InChIKey | RWCMOQXHIDWDDJ-UHFFFAOYSA-N |
| PubChem CID | 98068 |
| ChEMBL | CHEMBL2003248 |
| EC No. | 206-899-8 |
| DTXSID | DTXSID701314910 |
| Lokaler Name | 4-Fluormandelsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 164 |
| Schmelzpunkt | 136-137°C |
| Siedepunkt | 322.4±27.0 °C(Predicted) |
| Dichte | 1.425±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.17±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 2211001 |
| CAS Datenbank | 395-33-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.3%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
| Zollcode | 2918199890 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Fluoromandelic acid is a polymer monomer that can be used to prepare poly(fluoromandelic acid) (PFMA), a new type of polymer containing multiple fluorine atoms in the polymer chain. The structure of the substance consists mainly of a polyester backbone decorated with p-fluorophenyl groups, with carboxyl and hydroxyl groups at the end of the polymer chain.PFMA has high hydrophobicity, low surface energy, good thermal stability, excellent dielectric properties, low water absorption and good chemical resistance[1].