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Tolylboronic acid
P-TOLYLBORONIC ACID · 4-METHYLPHENYLBORONIC ACID · p-Tolueneboronic acid · t-509 · NSC 62870 · AKOS BRN-0019 · p-tolyl-boronicaci · 4-TOLYBORONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 5720-05-8 |
|---|---|
| Summenformel | C7H9BO2 |
| Durchschnittliche Molmasse | 135,96 g/mol |
| Monoisotopische Masse | 136,06955993 g/mol |
| SMILES | Cc1ccc(B(O)O)cc1 |
| InChIKey | BIWQNIMLAISTBV-UHFFFAOYSA-N |
| PubChem CID | 79799 |
| ChEMBL | CHEMBL140780 |
| EC No. | 611-480-1 |
| DTXSID | DTXSID00205836 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 97,8 |
| Schmelzpunkt | 256-263 °C(lit.) |
| Siedepunkt | 275.2±33.0 °C(Predicted) |
| Dichte | 1.10±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)It is soluble in water. |
| pKa (Säurekonstante) | 8.84±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white |
| BRN | 2935970 |
| InChI | InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3 |
| InChIKey | BIWQNIMLAISTBV-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(C)C=C1)(O)O |
| CAS Datenbank | 5720-05-8(CAS DataBase Reference) |
| NIST chemische Informationen | P-methylbenzeneboronic acid(5720-05-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.1%): 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 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29319090 |
| RTECS-Nr. | XS7400000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
suzuki reaction