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3-Methyl-2-nitrobenzoic acid Structure

3-Methyl-2-nitrobenzoic acid

Chemical Properties

Melting point 220-223 °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 2.26±0.10(Predicted)
color  White to Almost white
Water Solubility  <0.1 g/100 mL at 22 ºC
BRN  1960698
InChI InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C)=C1[N+]([O-])=O
CAS DataBase Reference 5437-38-7(CAS DataBase Reference)
FDA UNII 61WOP984AB
EPA Substance Registry System 3-Methyl-2-nitrobenzoic acid (5437-38-7)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22
Safety Statements  26-36-36/37/39-22-37
WGK Germany  3
TSCA  Yes
HS Code  29163990
NFPA 704:
1
2 0

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3-Methyl-2-nitrobenzoic acid Chemical Properties,Usage,Production

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