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3-Methyl-2-nitrobenzoic acid(CAS#5437-38-7)

Chemical Property:

Molecular Formula C8H7NO4
Molar Mass 181.15
Density 1.4283 (rough estimate)
Melting Point 220-223 °C (lit.)
Boling Point 314.24°C (rough estimate)
Flash Point 153.4°C
Water Solubility <0.1 g/100 mL at 22 ºC
Vapor Presure 3.44E-05mmHg at 25°C
Appearance White crystal
Color White to Almost white
BRN 1960698
pKa 2.26±0.10(Predicted)
Storage Condition Sealed in dry,Room Temperature
Refractive Index 1.5468 (estimate)
MDL MFCD00007180
Use Used as an intermediate in organic synthesis

Product Detail

Product Tags

Risk Codes R36/37/38 - Irritating to eyes, respiratory system and skin.
R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S22 - Do not breathe dust.
S37 - Wear suitable gloves.
WGK Germany 3
TSCA Yes
HS Code 29163990

 

Introduction

3-Methyl-2-nitrobenzoic acid, also known as p-methylnitrobenzoic acid, is an organic compound. The following is an introduction to its nature, use, preparation method and safety information:Quality:- Appearance: 3-methyl-2-nitrobenzoic acid is white or light yellow crystal;- Solubility: Soluble in ethanol, chloroform and ether organic solvents, insoluble in water.Use:- Fuel additives: can be used as explosion suppressants in some fuels.Method:3-Methyl-2-nitrobenzoic acid can be prepared by nitrification of p-methylbenzoic acid.Safety Information:- 3-methyl-2-nitrobenzoic acid is an organic compound that can be dangerous;- Avoid direct contact with the skin and eyes, avoid inhalation and ingestion;- Wear personal protective equipment such as safety glasses, gloves and face shields during use;- When storing, it should be stored tightly sealed, away from fire and oxidants.

Application
3-Methyl-2-nitrobenzoic acid is a high-purity nitroaromatic building block and versatile synthetic intermediate widely used in organic synthesis and pharmaceutical research. As a key pharmaceutical intermediate, it serves as a precursor for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors. It is also utilized as Niraparib Impurity 10, a critical reference standard for analytical method development, method validation (AMV), quality control (QC), and ANDA filings during commercial production of the anticancer drug Niraparib. The ortho-nitro group relative to the methyl substituent and carboxylic acid functionality make this compound valuable for metal-catalyzed cross-coupling reactions and the synthesis of heterocyclic systems including benzodiazepine and quinazoline scaffolds. Its derivatives are further applied in dye production, agrochemicals, and as a chromatographic standard. Xinchem offers custom synthesis, custom chemical synthesis, and contract manufacturing of this essential building block with flexible scaling from R&D to commercial tons. Contact us today for a competitive quote and reliable global supply.


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