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2-Methyl-3-nitrobenzoic acid Structure

2-Methyl-3-nitrobenzoic acid

Chemical Properties

Melting point 182-184 °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 to crystal
pka 3.03±0.20(Predicted)
color  White to Light red to Green
Water Solubility  <0.1 g/100 mL at 22 ºC
BRN  2050096
Henry's Law Constant 2.2×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
InChI InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey YPQAFWHSMWWPLX-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1C
CAS DataBase Reference 1975-50-4(CAS DataBase Reference)
EPA Substance Registry System 2-Methyl-3-nitrobenzoic acid (1975-50-4)

Safety Information

Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22
Safety Statements  26-36-36/37/39-22
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29163900
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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