HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxyindole-3-aldehyde
3-Formyl-4-methoxyindole · 4-Methoxy-1H-indole-3-carboxaldehyde · 4-METHOXY-3-FORMYLINDOLE · 4-methoxyindole-3-aldehyde · 4-Methoxyindole-3-carbaldehyde · 4-Methoxy-indol-3-carbaldehyde · 4-methoxyindole-3-methylaldehyde · 4-METHOXY-3-INDOLECARBOXALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 90734-97-7 |
|---|---|
| Summenformel | C10H9NO2 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,06332853 g/mol |
| SMILES | COc1cccc2[nH]cc(C=O)c12 |
| InChIKey | GDVCEQRAPMIJBG-UHFFFAOYSA-N |
| PubChem CID | 146229 |
| ChEBI | CHEBI:181462 |
| EC No. | 108-428-0 |
| DTXSID | DTXSID50238250 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 195 |
| Schmelzpunkt | 162-163 °C |
| Siedepunkt | 375.2±22.0 °C(Predicted) |
| Dichte | 1.273±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 15.73±0.30(Predicted) |
| CAS Datenbank | 90734-97-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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. 4 (100%) |
| Zollcode | 2933998090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
4-Methoxy-3-indolecarboxaldehyde is a nitrosatable mutagen precursor found in Chinese cabbage.