HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methylindole-3-carboxaldehyde
AKOS JY2083588 · 3-Formyl-6-methylindole · 6-METHYLINDOLE-3-ALDEHYDE · 6-Methylindole-3-carbaldehyde · 6-Methylindole-3-caboxaldehyde · 6-METHYLINDOLE-3-CARBOXALDEHYDE · 6-METHYLINDOLE-3-CARBOXYALDEHYDE · 6-Methyl-1H-indol-3-carbaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 4771-49-7 |
|---|---|
| Summenformel | C10H9NO |
| Durchschnittliche Molmasse | 159,18 g/mol |
| Monoisotopische Masse | 159,06841391 g/mol |
| SMILES | Cc1ccc2c(C=O)c[nH]c2c1 |
| InChIKey | LZERQSJGPXFAKB-UHFFFAOYSA-N |
| PubChem CID | 4777902 |
| EC No. | 676-494-2 |
| DTXSID | DTXSID60406468 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 181 |
| Schmelzpunkt | 185-189°C |
| Siedepunkt | 339.3±22.0 °C(Predicted) |
| Dichte | 1.226±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 15.86±0.30(Predicted) |
| BRN | 386914 |
| CAS Datenbank | 4771-49-7(CAS DataBase Reference) |
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38-36-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
6-Methylindole-3-carboxaldehyde is an indole compound that can be prepared by the C3-formylation of indole with formaldehyde and ammonia catalysed by iron in air. The substance can also be used to prepare other nitrogen-containing heterocyclic compounds, which are widely used in chemical manufacturing, medicine, dyes and luminescent materials.