HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethoxy-4-methoxybenzonitrile
3-ethoxy-4-Methoxybenzonitrile · Apremilast Impurity 78 · Bempedoic Acid Impurity 52 · Apremilast Impurity APRRC-9 · 3-Ethoxy-4-methoxybenzonitril · 3-Ethoxy-4-methoxy bezonitrile · 3-Ethoxy-4-Methoxy benzontrile · Benzonitrile, 3-ethoxy-4-Methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 60758-86-3 |
|---|---|
| Summenformel | C10H11NO2 |
| Durchschnittliche Molmasse | 177,2 g/mol |
| Monoisotopische Masse | 177,07897859 g/mol |
| SMILES | CCOc1cc(C#N)ccc1OC |
| InChIKey | XTIINWPNAMHVDG-UHFFFAOYSA-N |
| PubChem CID | 3934769 |
| EC No. | 808-110-8 |
| DTXSID | DTXSID80398073 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 196 |
| Schmelzpunkt | 70℃ |
| Siedepunkt | 281.9±25.0℃ (760 Torr) |
| Dichte | 1.09±0.1 g/cm3 (20 ºC 760 Torr) |
| Flammpunkt | 109.2±16.4℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3 |
| InChIKey | XTIINWPNAMHVDG-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(OC)C(OCC)=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 3439 |
| Zollcode | 2926907090 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3-Ethoxy-4-methoxy benzonitrile can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.