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4-Fluorophenylboronic acid
4-FLUOROPHENYLBORONIC ACID · (4-Fluorophenyl)boranediol · p-Fluorobenzylboronic acid · P-FLUOROPHENYLBORONIC ACID · AC 33410 · NSC 142683 · AKOS 91317 · AKOS BRN-0012
Identifikatoren & physikalische Daten
| CAS No. | 1765-93-1 |
|---|---|
| Summenformel | C6H6BFO2 |
| Durchschnittliche Molmasse | 139,92 g/mol |
| Monoisotopische Masse | 140,04448805 g/mol |
| SMILES | OB(O)c1ccc(F)cc1 |
| InChIKey | LBUNNMJLXWQQBY-UHFFFAOYSA-N |
| PubChem CID | 285645 |
| ChEMBL | CHEMBL344890 |
| ChEBI | CHEBI:48661 |
| EC No. | 605-778-0 |
| DTXSID | DTXSID10301378 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 102 |
| Schmelzpunkt | 262-265 °C (lit.) |
| Siedepunkt | 258.4±42.0 °C(Predicted) |
| Dichte | 1.24±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in water |
| Aggregatzustand | Crystalline or Fluffy Powder |
| pKa (Säurekonstante) | 8.67±0.10(Predicted) |
| Farbe | Yellow to beige |
| BRN | 2829653 |
| InChI | InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H |
| InChIKey | LBUNNMJLXWQQBY-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(F)C=C1)(O)O |
| CAS Datenbank | 1765-93-1(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Fluorobenzeneboronic acid(1765-93-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86.8%): 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 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (86.8%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| Zollcode | 29163990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluorobenzeneboronic acid can be used as intermediates of Liquid Crystals and in suzuki reaction.