HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Butylphenylboronic acid
AKOS BRN-0152 · CAS:145240-28-4 · 4-Butylphenylboronic · 4-n-butylboronic acid · 4-N-Butylphenylboronic · 4-Butylphenylboronicaci · 4-BUTYLPHENYLBORONIC ACID · 4-butylbenzeneboronic acid
Identifikatoren & physikalische Daten
| CAS No. | 145240-28-4 |
|---|---|
| Summenformel | C10H15BO2 |
| Durchschnittliche Molmasse | 178,04 g/mol |
| Monoisotopische Masse | 178,11651012 g/mol |
| SMILES | CCCCc1ccc(B(O)O)cc1 |
| InChIKey | UGZUUTHZEATQAM-UHFFFAOYSA-N |
| PubChem CID | 4100860 |
| ChEMBL | CHEMBL555064 |
| EC No. | 678-180-0 |
| DTXSID | DTXSID90399319 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 131 |
| Schmelzpunkt | 91-97 °C(lit.) |
| Siedepunkt | 313.5±35.0 °C(Predicted) |
| Dichte | 1.03±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.78±0.10(Predicted) |
| Farbe | White to Orange to Green |
| BRN | 6920034 |
| InChI | 1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3 |
| InChIKey | UGZUUTHZEATQAM-UHFFFAOYSA-N |
| SMILES | CCCCc1ccc(cc1)B(O)O |
| CAS Datenbank | 145240-28-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38-10 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-36/37/39-16-7/9-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals