HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pentylboronic Acid
PENTYLBORONIC ACID · N-Pentylboronic · n-Pentylboronicaci · RARECHEM AH PB 0247 · 1-PENTYLBORONIC ACID · n-Pentylboronic acid · N-Pentaneboronic acid · PENTYLDIHYDROXYBORANE
Identifikatoren & physikalische Daten
| CAS No. | 4737-50-2 |
|---|---|
| Summenformel | C5H13BO2 |
| Durchschnittliche Molmasse | 115,97 g/mol |
| Monoisotopische Masse | 116,10086006 g/mol |
| SMILES | CCCCCB(O)O |
| InChIKey | ABWPXVJNCQKYDR-UHFFFAOYSA-N |
| PubChem CID | 352103 |
| EC No. | 808-197-2 |
| DTXSID | DTXSID50326166 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 47,7 |
| Schmelzpunkt | 94°C(lit.) |
| Siedepunkt | 207.9±23.0 °C(Predicted) |
| Dichte | 0.905±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform, DMSO |
| pKa (Säurekonstante) | 10.37±0.43(Predicted) |
| Aggregatzustand | solid |
| Farbe | white to off-white |
| InChI | InChI=1S/C5H13BO2/c1-3-4-5(2)6(7)8/h5,7-8H,3-4H2,1-2H3 |
| InChIKey | RGTLYZSQOQHZAT-UHFFFAOYSA-N |
| SMILES | CC(B(O)O)CCC |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | No |
| Zollcode | 2931900090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-37 |
Anwendungen & Verwendung
Verwenden
N-Pentylboronic Acid is used in the synthesis of (-)-Δ8-THC and (-)-Δ9-THC. Also it aids in the synthesis of boronic acid inhibitors of endothelial lipase.