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6-Azauracil Structure

6-Azauracil

Chemical Properties

Melting point 274-275 °C(lit.)
Boiling point 211.75°C (rough estimate)
Density  1.5988 (rough estimate)
refractive index  1.4264 (estimate)
storage temp.  Store below +30°C.
form  Fine Crystalline Powder
pka 7.78±0.20(Predicted)
color  White to light yellow
Water Solubility  Partly soluble in water, ethanol, DMSO, and 1 M NH4OH (50 mg/ml).
BRN  116472
InChI InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)
InChIKey SSPYSWLZOPCOLO-UHFFFAOYSA-N
SMILES N1=CC(=O)NC(=O)N1
CAS DataBase Reference 461-89-2(CAS DataBase Reference)
NIST Chemistry Reference 1,2,4-Triazine-3,5(2H,4H)-dione(461-89-2)
EPA Substance Registry System 1,2,4-Triazine-3,5(2H,4H)-dione (461-89-2)

Safety Information

Hazard Codes  Xi,T
Risk Statements  36/37/38-63-25
Safety Statements  26-36-45-38-36/37/39
WGK Germany  3
RTECS  XY7700000
10-23
TSCA  Yes
HazardClass  IRRITANT
HS Code  29336980

MSDS

Usage And Synthesis

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