HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-fluoro-1H-indole-3-carbaldehyde
5-FLUORO-1H-INDOLE-3-CARBALDEHYDE · 120351 · AKOS JY2083653 · TIMTEC-BB SBB002930 · 5-Fluoro-3-formylindole · 5-FLUOROINDOLE-3-ALDEHYDE · 5-Fluoro-3-formyl-1H-indole · 5-FLUOROINDOLE-3-CARBALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 2338-71-8 |
|---|---|
| Summenformel | C9H6FNO |
| Durchschnittliche Molmasse | 163,15 g/mol |
| Monoisotopische Masse | 163,04334203 g/mol |
| SMILES | O=Cc1c[nH]c2ccc(F)cc12 |
| InChIKey | YUAJKGBLPVLADK-UHFFFAOYSA-N |
| PubChem CID | 259089 |
| EC No. | 622-412-5 |
| DTXSID | DTXSID10293320 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 185 |
| Schmelzpunkt | 164°C |
| Siedepunkt | 342.4±22.0 °C(Predicted) |
| Dichte | 1.385±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | crystalline |
| pKa (Säurekonstante) | 14.66±0.30(Predicted) |
| Farbe | yellow to green |
| BRN | 1449216 |
| InChI | 1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H |
| InChIKey | YUAJKGBLPVLADK-UHFFFAOYSA-N |
| SMILES | Fc1ccc2[nH]cc(C=O)c2c1 |
| CAS Datenbank | 2338-71-8(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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Fluoroindole-3-carboxaldehyde is used as a reagent in the synthetic preparation of compounds requiring an indole group or more specifically a fluoroindole group.