HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Iodo-1H-indole
5-IODO-1H-INDOLE · 5-Iodoindole · 5-Indoindole · 5-Iodoindole 97% · 1H-Indole, 5-iodo- · 5-Iodo-1H-indole97% · 5-Iodo-1H-indole 97% · 5-Iodo-1H-indole, 95+%
Identifikatoren & physikalische Daten
| CAS No. | 16066-91-4 |
|---|---|
| Summenformel | C8H6IN |
| Durchschnittliche Molmasse | 243,04 g/mol |
| Monoisotopische Masse | 242,95449719 g/mol |
| SMILES | Ic1ccc2[nH]ccc2c1 |
| InChIKey | TVQLYTUWUQMGMP-UHFFFAOYSA-N |
| PubChem CID | 2782313 |
| EC No. | 628-024-2 |
| DTXSID | DTXSID60382031 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 101-104 °C (lit.) |
| Siedepunkt | 341.7±15.0 °C(Predicted) |
| Dichte | 1.960±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 16.14±0.30(Predicted) |
| Aggregatzustand | Solid or Crystalline Solid |
| Farbe | White to pale brown |
| InChI | InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
| InChIKey | TVQLYTUWUQMGMP-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(I)C=C2)C=C1 |
| CAS Datenbank | 16066-91-4(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 46 reports by companies from 6 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 |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5-Iodoindole is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field. It is used as the starting material in the synthesis of 5-(α-fluorovinyl)-N-tosylindole.