HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Chlor-1H-indol
7-CHLORO-1H-INDOLE · 7-ChL · 7-CHLOROINDOLE · 7-chloroindoles · 7-CHLOROINDAZOLE · 7-Chloroindole,98% · 7-Chloroindole >RARECHEM AH BS 0085 · TIMTEC-BB SBB004058
Identifikatoren & physikalische Daten
| CAS No. | 53924-05-3 |
|---|---|
| Summenformel | C8H6ClN |
| Durchschnittliche Molmasse | 151,59 g/mol |
| Monoisotopische Masse | 151,01887687 g/mol |
| SMILES | Clc1cccc2cc[nH]c12 |
| InChIKey | WMYQAKANKREQLM-UHFFFAOYSA-N |
| PubChem CID | 104644 |
| ChEMBL | CHEMBL111579 |
| EC No. | 258-865-7 |
| DTXSID | DTXSID80202207 |
| Lokaler Name | 7-Chlor-1H-indol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| LogP (Verteilungskoeffizient) | 3.25 |
| Schmelzpunkt | 55-58 °C(lit.) |
| Siedepunkt | 90-95 °C0.25 mm Hg(lit.) |
| Dichte | 1.1976 (rough estimate) |
| Brechungsindex | 1.5660 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 15.42±0.30(Predicted) |
| Farbe | White to Light yellow to Dark green |
| BRN | 114743 |
| InChI | InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H |
| InChIKey | WMYQAKANKREQLM-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2Cl)C=C1 |
| CAS Datenbank | 53924-05-3(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 | 29339990 |
| 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
7-Chloroindole may be used in the preparation of 1-methyl-7-chloroindole and glycosylated 7-chloroindole-3-acetamide.