HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Indol-6-carbonitril
1H-indole-6-carbonitrile · 6-Cyanoidole · CYANOINDOLE-6 · 6-CYANOINDOLE · 6-Cyanoindole>6-Cyano-1H-indole · 6-Cyanoindole ,98% · Ndole-6-carbonitrile · 6-Indolecarbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 15861-36-6 |
|---|---|
| Summenformel | C9H6N2 |
| Durchschnittliche Molmasse | 142,16 g/mol |
| Monoisotopische Masse | 142,05309819 g/mol |
| SMILES | N#Cc1ccc2cc[nH]c2c1 |
| InChIKey | SZSZDBFJCQKTRG-UHFFFAOYSA-N |
| PubChem CID | 85146 |
| EC No. | 239-988-5 |
| DTXSID | DTXSID00166478 |
| Lokaler Name | 1H-Indol-6-carbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 191 |
| LogP (Verteilungskoeffizient) | 2.38 |
| Schmelzpunkt | 130-132°C |
| Siedepunkt | 350.0±15.0 °C(Predicted) |
| Dichte | 1.24±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Dichloromethane, Methanol |
| pKa (Säurekonstante) | 15.17±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White Crystalline |
| BRN | 116502 |
| InChI | InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H |
| InChIKey | SZSZDBFJCQKTRG-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(C#N)=C2)C=C1 |
| CAS Datenbank | 15861-36-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (14.3%) |
| UN-Transportnummer | 3439 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 22-36/37-26 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
6-Cyanoindole (cas# 15861-36-6) is a compound useful in organic synthesis.