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6-Azaindole Structure

6-Azaindole

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.

Usage And Synthesis

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