HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-3-fluorophenylboronic Acid
AKOS BRN-0033 · BIO-FARMA BF000449 · 4-Chloro-3-fluoroben · 4-CHLORO-3-FLUOROPHENYLBORONIC ACID · 3-fluoro-4-Chlorophenylboronic acid · 4-CHLORO-3-FLUOROBENZENEBORONIC ACID · 4-Chloro-3-fluorobenzeneboronicacid98% · 4-CHLORO-3-FLUOROPHENYLBORONIC ACID 98%
Identifikatoren & physikalische Daten
| CAS No. | 137504-86-0 |
|---|---|
| Summenformel | C6H5BClFO2 |
| Durchschnittliche Molmasse | 174,37 g/mol |
| Monoisotopische Masse | 174,0055157 g/mol |
| SMILES | OB(O)c1ccc(Cl)c(F)c1 |
| InChIKey | CMJQIHGBUKZEHP-UHFFFAOYSA-N |
| PubChem CID | 2778656 |
| EC No. | 675-622-4 |
| DTXSID | DTXSID70381055 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 198-204℃ |
| Siedepunkt | 302.6±52.0 °C(Predicted) |
| Dichte | 1.41±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 7.31±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H |
| InChIKey | CMJQIHGBUKZEHP-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(Cl)C(F)=C1)(O)O |
| CAS Datenbank | 137504-86-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29319000 |
| R-Sätze (R) | 36/37/38-41-37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36-39-60-37 |
| Gefahrenklasse | IRRITANTEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-Chloro-3-fluorobenzeneboronic acid is a key building block in organic synthesis, commonly utilized in Suzuki-Miyaura cross-coupling reactions to form aryl-aryl bonds.
Verwenden
suzuki reaction