4-Nitro-2-picoline N-oxide

Chemical Properties

Melting point
155-159 °C(lit.)

Boiling point
277.46°C (rough estimate)

Density 
1.4564 (rough estimate)

refractive index 
1.5100 (estimate)

storage temp. 
Inert atmosphere,Room Temperature

solubility 
DMSO, Methanol

form 
powder

pka
-1.18±0.10(Predicted)

color 
yellow to light orange

λmax
333nm(EtOH)(lit.)

BRN 
135501

InChI
InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3

InChIKey
FTTIAVRPJGCXAC-UHFFFAOYSA-N

SMILES
C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1

CAS DataBase Reference
5470-66-6(CAS DataBase Reference)

NIST Chemistry Reference
4-Nitro-2-picoline-n-oxide(5470-66-6)