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5-Methyl-2-nitrobenzoic acid Structure

5-Methyl-2-nitrobenzoic acid

Chemical Properties

Melting point 134-136 °C (lit.)
Boiling point 314.24°C (rough estimate)
Density  1.4283 (rough estimate)
refractive index  1.5468 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Powder or Crystalline Powder
pka 2.21±0.25(Predicted)
color  White to yellow
Water Solubility  4.7g/L(20 ºC)
BRN  1959031
Stability Stable. Incompatible with strong oxidizing agents.
InChI InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey QRRSIFNWHCKMSW-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C)=CC=C1[N+]([O-])=O
CAS DataBase Reference 3113-72-2(CAS DataBase Reference)
EPA Substance Registry System 5-Methyl-2-nitrobenzoic acid (3113-72-2)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39-37
WGK Germany  3
TSCA  TSCA listed
HS Code  29163990
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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