6-Azaindole
- Product Name6-Azaindole
- CAS271-29-4
- MFC7H6N2
- MW118.14
- EINECS664-233-5
- MOL File271-29-4.mol
Chemical Properties
| Melting point | 136-137°C |
| Boiling point | 295.8±13.0 °C(Predicted) |
| Density | 1.242±0.06 g/cm3(Predicted) |
| RTECS | UY8720000 |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | Solid |
| pka | 14.66±0.30(Predicted) |
| Appearance | Off-white to light brown Solid |
| Water Solubility | Soluble in water (hardly), methanol and chloroform. |
| Sensitive | Air & Light Sensitive |
| 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 DataBase Reference | 271-29-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| Hazard Note | Irritant |
| HS Code | 29339980 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intraperitoneal,12mg/kg (12mg/kg),Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963. |