4-Methyl-3-nitrobenzoic acid

4-Methyl-3-nitrobenzoic acid Basic information
Product Name:4-Methyl-3-nitrobenzoic acid
Synonyms:4-methyl-3-nitro-benzoicaci;RARECHEM AL BO 1292;3-NITRO-4-METHYLBENZOIC ACID;3-NITRO-P-TOLUIC ACID;AKOS BBS-00007715;4-METHYL-3-NITROBENZOIC ACID;2-NITROTOLUENE-4-CARBOXYLIC ACID;4-Methyl-3-Nitrobenzoic Acid 3-Nitro-4-Methylbenzoic Acid
CAS:96-98-0
MF:C8H7NO4
MW:181.15
EINECS:202-549-3
Product Categories:Benzoic acid;Organic acids;Intermediates of Dyes and Pigments
Mol File:96-98-0.mol
4-Methyl-3-nitrobenzoic acid Structure
4-Methyl-3-nitrobenzoic acid Chemical Properties
Melting point 187-190 °C (lit.)
Boiling point 314.24°C (rough estimate)
density 1.4283 (rough estimate)
vapor pressure 0.001Pa at 20℃
refractive index 1.5468 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility 0.257g/l
pka3.66±0.10(Predicted)
form Crystalline Powder
color White to light yellow
Water Solubility <0.1 g/100 mL at 22 ºC
BRN 1874411
LogP1.65 at 23℃ and pH6.3-6.7
CAS DataBase Reference96-98-0(CAS DataBase Reference)
EPA Substance Registry System4-Methyl-3-nitrobenzoic acid (96-98-0)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 36/37/38-20/21/22-22
Safety Statements 36/37/39-26-22-36-24/25
WGK Germany 1
TSCA Yes
HS Code 29163990
MSDS Information
ProviderLanguage
4-Methyl-3-nitrobenzoic acidEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
4-Methyl-3-nitrobenzoic acid Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powder
Uses4-Methyl-3-nitrobenzoic acid was used in the synthesis of one-dimensional (1D) lanthanide coordination complexes.
General DescriptionPrismatic crystals or off-white powder.
Air & Water ReactionsInsoluble in water.
Reactivity Profile4-Methyl-3-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 HazardInformation concerning the flash point of 4-Methyl-3-nitrobenzoic acid is not available. 4-Methyl-3-nitrobenzoic acid is probably combustible.
Purification MethodsRecrystallise the acid from EtOH. The S-benzylisothiuronium salt has m 167168o (EtOH). The acid chloride [10397-30-5] has m 20-21o, b 185o/36mm, and the methyl ester [7356-11-8] crystallises as pale yellow needles from MeOH with m 51o. [Beilstein 9 H 502, 9 II 334, 9 III 2359.]
4-Methyl-3-nitrobenzoic acid Preparation Products And Raw materials
Raw materials4-METHYL-3-NITROBENZAMIDE–>Sulfuric acid–>Nitric acid–>p-Tolunitrile
Preparation ProductsIndole-6-carboxylic acid–>3-Amino-4-methylbenzoic acid–>Methyl 1H-indazole-6-carboxylate–>Methyl 3-cyano-4-Methylbenzoate–>3-Fluoro-4-methylbenzoic acid–>Methyl 3-amino-4-methylbenzoate–>4-METHYL-3-NITROBENZALDEHYDE–>3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate–>Benzamide, 4-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]-

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