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HomeProduct name list3-Methyl-2-nitrobenzoic acid

3-Methyl-2-nitrobenzoic acid

Synonym(s):2-Nitro-m-toluic acid

  • CAS NO.:5437-38-7
  • Empirical Formula: C8H7NO4
  • Molecular Weight: 181.15
  • MDL number: MFCD00007180
  • EINECS: 226-610-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-19 17:35:41
3-Methyl-2-nitrobenzoic acid Structural

What is 3-Methyl-2-nitrobenzoic acid?

Chemical properties

white to slightly yellow crystalline powder

The Uses of 3-Methyl-2-nitrobenzoic acid

2-Nitro-m-toluic Acid, is a building block used for the synthesis of various compounds. It can be used for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors.

General Description

Prisms or white crystalline solid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3-Methyl-2-nitrobenzoic acid is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.

Fire Hazard

Information concerning the flash point of 3-Methyl-2-nitrobenzoic acid is not available. 3-Methyl-2-nitrobenzoic acid is probably combustible.

Purification Methods

Recrystallise it from EtOH. The methyl ester has m 74o (from MeOH), and the amide [60310-07-8] M 180.1, has m 192o (needles from H2O, prisms from EtOH). [Beilstein 9 H 480, 9 IV 1722.]

Properties of 3-Methyl-2-nitrobenzoic acid

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)
CAS DataBase Reference 5437-38-7(CAS DataBase Reference)
EPA Substance Registry System 3-Methyl-2-nitrobenzoic acid (5437-38-7)

Safety information for 3-Methyl-2-nitrobenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-Methyl-2-nitrobenzoic acid

InChIKey DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C)=C1[N+]([O-])=O

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