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N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-m-toluidine
N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-m-toluidine · N-(2-Chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-3-methylbenzenamine · Benzenamine, N-(2-chloroethyl)-4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methyl-
![Molekülstruktur von N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-m-toluidine](/img/chemical/114213.png)
Identifikatoren & physikalische Daten
| CAS No. | 63741-10-6 |
|---|---|
| Summenformel | C17H17Cl3N4O2 |
| Durchschnittliche Molmasse | 415,7 g/mol |
| Monoisotopische Masse | 414,04170882 g/mol |
| SMILES | CCN(CCCl)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)c1 |
| InChIKey | UGDJBKWHSWJSMB-UHFFFAOYSA-N |
| PubChem CID | 114213 |
| EC No. | 264-439-1 |
| DTXSID | DTXSID3069984 |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 479 |
| Siedepunkt | 573.9±50.0 °C(Predicted) |
| Dichte | 1.38±0.1 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 25℃ |
| pKa (Säurekonstante) | 2.46±0.50(Predicted) |
| Löslichkeit | 7.41μg/L at 20℃ |
| InChI | InChI=1S/C17H17Cl3N4O2/c1-3-23(7-6-18)12-4-5-16(11(2)8-12)21-22-17-14(19)9-13(24(25)26)10-15(17)20/h4-5,8-10H,3,6-7H2,1-2H3 |
| InChIKey | UGDJBKWHSWJSMB-UHFFFAOYSA-N |
| SMILES | C1(N(CCCl)CC)=CC=C(N=NC2=C(Cl)C=C([N+]([O-])=O)C=C2Cl)C(C)=C1 |
| LogP (Verteilungskoeffizient) | 7.2 at 35℃ |
| EPA chemische Informationen | Benzenamine, N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-3-methyl- (63741-10-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 22% (13 of 59) of reports.WarningH317 (78%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24920 |
| Hazard Classes and Categories | Skin Sens. 1 (78%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-m-toluidine is a useful research chemical.