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N,N-Bis(2-chlorethyl)-p-toluolsulfonamid
N,N-BIS(2-CHLOROETHYL)-4-METHYLBENZENESULFONAMIDE · DK780 · NSC 49364 · LABOTEST-BB LT00455209 · N,N-Bis(2-chloroethyl) · Tolbutamide Impurity 13 · N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDE · N,N-Bis(-chloroethyl)-p-toluenesulfonamide
Identifikatoren & physikalische Daten
| CAS No. | 42137-88-2 |
|---|---|
| Summenformel | C11H15Cl2NO2S |
| Durchschnittliche Molmasse | 296,2 g/mol |
| Monoisotopische Masse | 295,0200553 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 |
| InChIKey | PTVBBIMKLOMGSY-UHFFFAOYSA-N |
| PubChem CID | 96039 |
| EC No. | 255-677-7 |
| DTXSID | DTXSID20194970 |
| Lokaler Name | N,N-Bis(2-chlorethyl)-p-toluolsulfonamid |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 302 |
| Schmelzpunkt | 43-50 °C |
| Siedepunkt | 409.1±55.0 °C(Predicted) |
| Dichte | 1.2228 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Chloroform |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -8.48±0.70(Predicted) |
| Farbe | White to Light yellow |
| BRN | 2134258 |
| InChIKey | PTVBBIMKLOMGSY-UHFFFAOYSA-N |
| CAS Datenbank | 42137-88-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.DangerH301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.There are 3 notifications provided by 44 of 45 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (84.4%)Skin Irrit. 2 (13.3%)Eye Irrit. 2 (13.3%) |
| Zollcode | 29350090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
N,N-Bis(2-chloroethyl)-p-toluenesulfonaMide can be used as an intermediate used in the process for preparation of Cetirizine (C281100).