HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(p-Toluolsulfonyl)imidazol
1-(P-TOLUENESULFONYL)IMIDAZOLE · 1-Tosyl-1H-imidazole · 1-(p-toluenesulphonyl)imidazole · TosI · Tosylimidazole · 1-TOSYLIMIDAZOLE · 1-(p-Toluenesulfonyl · 1-(4-Tolylsulfonyl)imidazole
Identifikatoren & physikalische Daten
| CAS No. | 2232-08-8 |
|---|---|
| Summenformel | C10H10N2O2S |
| Durchschnittliche Molmasse | 222,27 g/mol |
| Monoisotopische Masse | 222,04629856 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)n2ccnc2)cc1 |
| InChIKey | YJYMYJRAQYREBT-UHFFFAOYSA-N |
| PubChem CID | 75219 |
| EC No. | 218-771-9 |
| DTXSID | DTXSID6022181 |
| Lokaler Name | 1-(p-Toluolsulfonyl)imidazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 302 |
| Schmelzpunkt | 76-78 °C(lit.) |
| Siedepunkt | 409.1±38.0 °C(Predicted) |
| Dichte | 1.3038 (rough estimate) |
| Brechungsindex | 1.5650 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | chloroform: soluble25mg/mL, clear, colorless to faintly yellow |
| Aggregatzustand | Crystals or Crystalline Powder |
| pKa (Säurekonstante) | 1.22±0.10(Predicted) |
| Farbe | White to slightly yellow |
| BRN | 612451 |
| InChI | InChI=1S/C10H10N2O2S/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12/h2-8H,1H3 |
| InChIKey | YJYMYJRAQYREBT-UHFFFAOYSA-N |
| SMILES | C1N(S(C2=CC=C(C)C=C2)(=O)=O)C=CN=1 |
| CAS Datenbank | 2232-08-8(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 41 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%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29332900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Alcohols to azides in one step.1