HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Azaindole
1H-Pyrrolo[2,3-c]pyridine · 6-Azaindol · 6-Azaindole · 6-Aza-1H-indole · 6-Azaindole, 98+% · Harmyrine 1,6-Diazaindene · 6-Azaindole,1H-pyrrolo[2,3-c]pyridine · 1H-PYRROLO[2,3-C]PYRIDINE 6-AZAINDOLE
Identifikatoren & physikalische Daten
| CAS No. | 271-29-4 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,05309819 g/mol |
| SMILES | c1cc2cc[nH]c2cn1 |
| InChIKey | XLKDJOPOOHHZAN-UHFFFAOYSA-N |
| PubChem CID | 9219 |
| ChEMBL | CHEMBL5208607 |
| EC No. | 664-233-5 |
| DTXSID | DTXSID20181562 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Schmelzpunkt | 136-137°C |
| Siedepunkt | 295.8±13.0 °C(Predicted) |
| Dichte | 1.242±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.66±0.30(Predicted) |
| Löslichkeit | Soluble in water (hardly), methanol and chloroform. |
| InChI | InChI=1S/C7H6N2/c1-3-8-5-7-6(1)2-4-9-7/h1-5,9H |
| InChIKey | XLKDJOPOOHHZAN-UHFFFAOYSA-N |
| SMILES | C1=NC=CC2C=CNC1=2 |
| CAS Datenbank | 271-29-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (92.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.2%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29339980 |
| Toxizität | mouse,LD50,intraperitoneal,12mg/kg (12mg/kg),Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963. |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-Azaindole is an indole derivative and useful synthetic intermediate.