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5-NITRONICOTINIC ACID Structure

5-NITRONICOTINIC ACID

Chemical Properties

Melting point 171-173
Boiling point 369.5±27.0 °C(Predicted)
Density  1.570±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.75±0.10(Predicted)
color  Light Yellow to Dark Yellow
InChI InChI=1S/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)
InChIKey TZAGBVHIUUFVCJ-UHFFFAOYSA-N
SMILES C1=NC=C([N+]([O-])=O)C=C1C(O)=O
CAS DataBase Reference 2047-49-6(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Safety Statements  24/25
Hazard Note  Irritant
HS Code  29349990

Usage And Synthesis

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