HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chlorindol
5-CHLORO-1H-INDOLE · oroindoL · ChloroIndole · 5-CHLOROINDOLE · 6-Chloroindole99% · 5-CHLOROINDOLE99% · 5-Chloroindole 98% · 5-Chloroindole >5-Chloroindole ,98%
Identifikatoren & physikalische Daten
| CAS No. | 17422-32-1 |
|---|---|
| Summenformel | C8H6ClN |
| Durchschnittliche Molmasse | 151,59 g/mol |
| Monoisotopische Masse | 151,01887687 g/mol |
| SMILES | Clc1ccc2[nH]ccc2c1 |
| InChIKey | MYTGFBZJLDLWQG-UHFFFAOYSA-N |
| PubChem CID | 87110 |
| ChEMBL | CHEMBL555013 |
| EC No. | 241-448-9 |
| DTXSID | DTXSID10169793 |
| Lokaler Name | 5-Chlorindol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 69-71 °C (lit.) |
| Siedepunkt | 130 °C / 0.4mmHg |
| Dichte | 1.1976 (rough estimate) |
| Brechungsindex | 1.5437 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in alcohol. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 16.09±0.30(Predicted) |
| Farbe | White to slightly grayish-green |
| BRN | 2651 |
| InChI | InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
| InChIKey | MYTGFBZJLDLWQG-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(Cl)C=C2)C=C1 |
| CAS Datenbank | 17422-32-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Chloroindole is a halo-substituted indole used in the preparation of neurologically active compounds such as atypical antipsychotic agents. 5-Chloroindole has been shown to depress serotonin levels in the brainstem and telencephalon.