Identifikatoren & physikalische Daten
| CAS No. | 158681-13-1 |
|---|
| Summenformel | C22H22Cl4N4O |
|---|
| Durchschnittliche Molmasse | 500,2 g/mol |
|---|
| Monoisotopische Masse | 498,05477204 g/mol |
|---|
| SMILES | Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.Cl |
|---|
| InChIKey | REOYOKXLUFHOBV-UHFFFAOYSA-N |
|---|
| PubChem CID | 104849 |
|---|
| ChEMBL | CHEMBL558598 |
|---|
| EC No. | 806-144-8 |
|---|
| DTXSID | DTXSID20166495 |
|---|
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 50,2 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 31 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 583 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.5%) |
|---|
