HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamide
(Tosylazanediyl) · Gadobutrol Impurity 43 · Gadobutrol Impurity 34 · Gadobutrol Impurity 116 · N,O,Oμ-Tritosyldiethanolamine · bis(4-methylbenzenesulfonate) · N,N-bis[2-(tosyloxy)ethyl]toluene-4-sulfonamide · N,N-bis(2-tosyloxy)ethyl)toluene-4-*sulfonamide
Identifikatoren & physikalische Daten
| CAS No. | 16695-22-0 |
|---|---|
| Summenformel | C25H29NO8S3 |
| Durchschnittliche Molmasse | 567,7 g/mol |
| Monoisotopische Masse | 567,1055304 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 |
| InChIKey | VJDZYMIEDBLSDT-UHFFFAOYSA-N |
| PubChem CID | 267409 |
| EC No. | 412-920-3 |
| DTXSID | DTXSID20295976 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 149 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 37 |
| Formalladung | 0 |
| Komplexität | 945 |
| Schmelzpunkt | 92-98 °C(lit.) |
| Siedepunkt | 732.4±70.0 °C(Predicted) |
| Dichte | 1.345±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -9.29±0.70(Predicted) |
| Farbe | White to Almost white |
| BRN | 2406580 |
| InChI | 1S/C25H29NO8S3/c1-20-4-10-23(11-5-20)35(27,28)26(16-18-33-36(29,30)24-12-6-21(2)7-13-24)17-19-34-37(31,32)25-14-8-22(3)9-15-25/h4-15H,16-19H2,1-3H3 |
| InChIKey | VJDZYMIEDBLSDT-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026 |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Aquatic Chronic 4 (100%)Skin sensitisation - category 1Hazardous to the aquatic environment (chronic) - category 4Aquatic Chronic 4 |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 2935.90.9500 |
| R-Sätze (R) | 43-53 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24-37-61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 4Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
N,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE used to prepare selectively protected aza-macrocycles,1 carbon-bridged metallacarboranes,2 and tetrakis(phosphonomethyl)-substituted cyclododecanes.3