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4,5-Dimethoxy-2-nitrobenzoic acid Structure

4,5-Dimethoxy-2-nitrobenzoic acid

Chemical Properties

Melting point 195-197 °C(lit.)
Boiling point 368.87°C (rough estimate)
Density  1.4777 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Crystalline Powder
pka 2.34±0.25(Predicted)
color  Yellow
Water Solubility  Insoluble in water. Soluble in DMSO and methanol. Solubility in hot 1mol/L NaOH (almost transparency).
BRN  2123903
InChI InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)
InChIKey WWCMFGBGMJAJRX-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O
CAS DataBase Reference 4998-07-6(CAS DataBase Reference)
FDA UNII ND4L58599P

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HS Code  29189900
NFPA 704:
1
2 0

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