HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Propylboronic acid
N-PROPYLBORONIC ACID · Propylboronic · Propylboronicaci · PROPYLBORONIC ACID · Propaneboronic acid · RARECHEM AH PB 0255 · B-Propylboronic acid · Boronic acid, B-propyl-
Identifikatoren & physikalische Daten
| CAS No. | 17745-45-8 |
|---|---|
| Summenformel | C3H9BO2 |
| Durchschnittliche Molmasse | 87,92 g/mol |
| Monoisotopische Masse | 88,06955993 g/mol |
| SMILES | CCCB(O)O |
| InChIKey | JAQOMSTTXPGKTN-UHFFFAOYSA-N |
| PubChem CID | 351065 |
| EC No. | 681-581-3 |
| DTXSID | DTXSID90325794 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 30 |
| Schmelzpunkt | 105-108°C |
| Siedepunkt | 170.8±23.0 °C(Predicted) |
| Dichte | 0.925±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 10.31±0.43(Predicted) |
| Aggregatzustand | Crystalline Powder or Flakes |
| Farbe | White to off-white |
| BRN | 1731884 |
| InChI | InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3 |
| InChIKey | QIPHSSYCQCBJAX-UHFFFAOYSA-N |
| SMILES | CC(B(O)O)C |
| CAS Datenbank | 17745-45-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 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%) |
| TSCA-Inventar-Status | No |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 37/39-26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Propylboronic Acid is a chemical reagent used in the synthesis of pharmaceutical agents such as inhibitors of mTOR for use in anti-tumor treatments. Also used to synthesize endothelial lipase inhibitors