HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hexyl p-Toluenesulfonate
P-TOLUENESULFONIC ACID HEXYL ESTER · Dabigatran Impurity 123 · HEXYL P-TOLUENESULFONATE · Toluenesulfonicacidhexylester · Hexyl 4-methylbenzenesulfonate · Dabigatran Etexilate Impurity 92 · Hexyl p-Toluenesulfonate, ≥ 98.0% · benzo[g][2,1,3]benzoselenadiazole
Identifikatoren & physikalische Daten
| CAS No. | 3839-35-8 |
|---|---|
| Summenformel | C13H20O3S |
| Durchschnittliche Molmasse | 256,36 g/mol |
| Monoisotopische Masse | 256,1133155 g/mol |
| SMILES | CCCCCCOS(=O)(=O)c1ccc(C)cc1 |
| InChIKey | IVQOVYWBHRSGJI-UHFFFAOYSA-N |
| PubChem CID | 220448 |
| EC No. | 112-719-8 |
| DTXSID | DTXSID10277625 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 284 |
| Siedepunkt | 197 °C / 2mmHg |
| Dichte | 1,09 g/cm3 |
| Brechungsindex | 1.4980 to 1.5010 |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (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%) |
| Zollcode | 2904.10.3700 |
Anwendungen & Verwendung
Verwenden
Hexyl p-Toluenesulfonate is a reactant in the synthesis of 7-bromo-5-(2''-chlorophenyl)-3-hydroxy-1-methyl-1,2-dihydro-3H-1,4-benzodiazepin-2-one 1 and 7-bromo-5-(2''-chloro)phenyl-1-hexyl-1,2,4,5-tetrahydro-3H-1,4-benzodiazepin-2,3-dione. Also, it is used to synthesize carbazates.