HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(4-(1H-Pyrazol-1-yl)phenyl)boronic acid
AKOS P-2123527 · VITAS-BB TBB011770 · ART-CHEM-BB B037013 · CHEMBRDG-BB 4011481 · 4-(Pyrazol-1-yl)phenyl]boronic · 4-PYRAZOL-1-YL-PHENYLBORONIC ACID · [4-(1-pyrazolyl)phenyl]boronic acid · [4-(1H-PYRAZOL-1-YL)PHENYL]BORONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 891270-35-2 |
|---|---|
| Summenformel | C9H9BN2O2 |
| Durchschnittliche Molmasse | 187,99 g/mol |
| Monoisotopische Masse | 188,07570793 g/mol |
| SMILES | OB(O)c1ccc(-n2cccn2)cc1 |
| InChIKey | XTVMZKCCFLOJBL-UHFFFAOYSA-N |
| PubChem CID | 16640552 |
| EC No. | 800-918-9 |
| DTXSID | DTXSID90586303 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 58,3 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 184 |
| Siedepunkt | 374.1±44.0 °C(Predicted) |
| Dichte | 1.20±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 8.39±0.17(Predicted) |
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 3 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 | 2933199090 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Pyrazol-1-yl-phenylboronic Acid is a reactant in the preparation of diaminothienopyrimidine anti-malarial agents which are orally active.