Description

2-Methyl-3,5-dinitrobenzoic acid (CAS No. 28169-46-2) is a high-purity nitroaromatic compound with the molecular formula C₈H₆N₂O₆, widely utilized in organic synthesis and pharmaceutical research. This yellow crystalline solid exhibits exceptional reactivity due to the presence of both nitro and carboxylic acid functional groups, making it a versatile intermediate for derivatization and fine chemical production. With a molecular weight of 226.14 g/mol, it is soluble in organic solvents such as ethanol, DMSO, and acetone, but exhibits limited solubility in water. Our product is rigorously tested to meet >98% purity standards (HPLC/GC) and is supplied in sealed, light-resistant packaging to ensure stability. Ideal for use in electrophilic substitution reactions, coordination chemistry, and as a precursor for dyes or energetic materials, this compound is a critical reagent for researchers in academia, industrial R&D, and specialty chemical manufacturing.

Properties

• CAS Number: 28169-46-2
• Complexity: 319
• IUPAC Name: 2-methyl-3,5-dinitro-benzoic acid
• InChI: InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
• InChI Key: CDVNZMKTJIBBBV-UHFFFAOYSA-N
• Exact Mass: 226.02258592
• Molecular Formula: C8H6N2O6
• Molecular Weight: 226.14
• SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• Topological: 129
• Monoisotopic Mass: 226.02258592
• Synonyms: 2-Methyl-3,5-dinitrobenzoic acid, 3,5-Dinitro-2-methylbenzoic acid, 3,5-Dinitro-o-toluic acid, Benzoic acid, 2-methyl-3,5-dinitro-, UNII-025937BG8P, EINECS 248-880-7, 025937BG8P, NSC 168527, NSC-168527, DTXSID3067360, DTXCID6037772, 248-880-7, cdvnzmktjibbbv-uhfffaoysa-n, 28169-46-2, 3,5-Dinitrotoluic acid, 3,5-Dinitro-2-methyl-benzoic Acid, o-Toluic acid, 3,5-dinitro-, Dinitolmide Impurity B, MFCD00007161, 2-methyl-3,5-dinitro-benzoic acid, NSC168527, o-Toluic acid,5-dinitro-, CBDivE_000040, SCHEMBL394667, 3,5-DINITRO-2-TOLUIC ACID, 3,5-Dinitro-o-toluic acid, 98%, AC7854, BBL025692, SBB063985, STK377134, AKOS000120249, AC-2935, FM67824, UPCMLD0ENAT5883727:001, BP-12435, SY003379, VS-08054, 3 pound not5-Dinitro-2-methyl-benzoic Acid, CS-0214836, NS00028428, ST50308303, EN300-19811, Q27231494, Z104475562, 3,5-Dinitro-o-toluic acid;3,5-Dinitro-2-methylbenzoic acid

Application

2-Methyl-3,5-dinitrobenzoic acid serves as a key building block in the synthesis of complex nitroaromatic compounds for pharmaceutical intermediates and agrochemicals. Its electron-deficient aromatic ring facilitates nucleophilic substitution reactions, enabling the development of novel heterocycles and ligands for catalytic systems. Researchers also employ this compound in explosives research due to its nitro group content, though strict regulatory compliance is required. Additional applications include its use as a derivatization agent in analytical chemistry and as a corrosion inhibitor precursor in material science.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.