Identifikatoren & physikalische Daten
| CAS No. | 61-44-9 |
|---|
| Summenformel | C15H18ClNO2S |
|---|
| Durchschnittliche Molmasse | 311,8 g/mol |
|---|
| Monoisotopische Masse | 311,0746777 g/mol |
|---|
| SMILES | Cl.O=C(CCN1CCOCC1)c1csc2ccccc12 |
|---|
| InChIKey | MHFIDACTVZJUFJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 65539 |
|---|
| EC No. | 668-087-3 |
|---|
| DTXSID | DTXSID10209845 |
|---|
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 57,8 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 20 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 317 |
|---|
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
