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4,5-Dimethoxy-2-nitrobenzoic acid Structure

4,5-Dimethoxy-2-nitrobenzoic acid

  • Product Name4,5-Dimethoxy-2-nitrobenzoic acid
  • CAS4998-07-6
  • CBNumberCB7364668
  • MFC9H9NO6
  • MW227.17
  • EINECS225-657-2
  • MDL NumberMFCD00014697
  • MOL File4998-07-6.mol

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)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
HS Code  2918990090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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4,5-Dimethoxy-2-nitrobenzoic acid Chemical Properties,Usage,Production

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