HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 449798Erstellt: 4. November 2026
2-(4-Methoxyphenyl)ethylisocyanide
2-(4-Methoxyphenyl)ethylisocyanide · Benzene, 1-(2-isocyanoethyl)-4-Methoxy-
https://huagongshe.com/de/chemical/449798
Identifikatoren & physikalische Daten
| CAS No. | 112057-91-7 |
|---|
| Summenformel | C10H11NO |
|---|
| Durchschnittliche Molmasse | 161,2 g/mol |
|---|
| Monoisotopische Masse | 161,08406397 g/mol |
|---|
| SMILES | [C-]#[N+]CCc1ccc(OC)cc1 |
|---|
| InChIKey | PDTUZGARTMXQDY-UHFFFAOYSA-N |
|---|
| PubChem CID | 449798 |
|---|
| EC No. | 171-248-6 |
|---|
| DTXSID | DTXSID80332316 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|
| Polarare Oberfläche (TPSA) | 13,6 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 162 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
|---|
