HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethyl-(4-methylbenzyl)phosphonat
LABOTEST-BB LT01148271 · Diethyl p-tolylmethylphosphonate · DIETHYL 4-METHYLBENZYLPHOSPHONATE · diethyl-(4-methylbenzyl)phosphonat · DIETHYL (P-METHYLBENZYL)PHOSPHONATE · Diethyl(4-Methylbenzyl)phosphonate>Diethyl-4-methylbenzylphosphonate 97% · Diethyl 4-methylbenzylphosphonate, 98+% · 4-methylphenylphosphoric acidiethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 3762-25-2 |
|---|---|
| Summenformel | C12H19O3P |
| Durchschnittliche Molmasse | 242,25 g/mol |
| Monoisotopische Masse | 242,1071811 g/mol |
| SMILES | CCOP(=O)(Cc1ccc(C)cc1)OCC |
| InChIKey | QKGBKPZAXXBLJE-UHFFFAOYSA-N |
| PubChem CID | 3050 |
| EC No. | 223-180-4 |
| DTXSID | DTXSID30191056 |
| Lokaler Name | Diethyl-(4-methylbenzyl)phosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 224 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 110 °C/0.2 mmHg (lit.) |
| Dichte | 1.07 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.497(lit.) |
| Flammpunkt | 230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 2940626 |
| InChI | InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3 |
| InChIKey | QKGBKPZAXXBLJE-UHFFFAOYSA-N |
| SMILES | P(CC1=CC=C(C)C=C1)(=O)(OCC)OCC |
| CAS Datenbank | 3762-25-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29319000 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Reactant involved in:Synthesis of stilbenes via oxidation and Horner-Emmons reactionsIntramolecular cyclization of aryl ethers, amines, and amidesStudies of the effects of functional groups on the performance of blue organic LEDsOlefination reactionsPreparation of antimalarial agents