HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Carboxy-3-fluorophenylboronic acid
3-Carboxy-4-fluorophenylboronic acid · 3-FLUORO-4-CARBOXYPHENYLBORONIC ACID · AKOS BRN-0546 · 3-Carboxy-4-fluoroph · 4-Borono-2-fluorobenzoic acid · 5-Borono-2-fluorobenzoic acid · 4-Carboxy-3-Fluorophenylboroni · Benzoic acid,4-borono-2-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 120153-08-4 |
|---|---|
| Summenformel | C7H6BFO4 |
| Durchschnittliche Molmasse | 183,93 g/mol |
| Monoisotopische Masse | 184,03431729 g/mol |
| SMILES | O=C(O)c1ccc(B(O)O)cc1F |
| InChIKey | CZDWJVSOQOMYGC-UHFFFAOYSA-N |
| PubChem CID | 2763201 |
| EC No. | 675-639-7 |
| DTXSID | DTXSID90376807 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 77,8 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 199 |
| Schmelzpunkt | 236-240°C |
| Siedepunkt | 399.5±52.0 °C(Predicted) |
| Dichte | 1.49±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.15±0.10(Predicted) |
| Farbe | white |
| Löslichkeit | Soluble in water. |
| CAS Datenbank | 120153-08-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2931900090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Gefahrenklasse | IRRITANT, KEEP COLD |
Anwendungen & Verwendung
Verwenden
4-Carboxy-3-fluorophenylboronic Acid acts as a reagent in the discovery of novel azaindole-based series as potent AXL kinase inhibitors.