CAS 16533-71-4

3,5-Dinitro-4-Methyl Benzoic Acid

Description:

3,5-Dinitro-4-methylbenzoic acid is an aromatic compound characterized by the presence of two nitro groups and a methyl group attached to a benzoic acid framework. Its molecular structure features a benzene ring substituted at the 3 and 5 positions with nitro groups (–NO2) and at the 4 position with a methyl group (–CH3), along with a carboxylic acid group (–COOH) that defines its acidic properties. This compound is typically a yellow crystalline solid, exhibiting moderate solubility in organic solvents and limited solubility in water due to its hydrophobic aromatic structure. The presence of the nitro groups contributes to its electron-withdrawing characteristics, influencing its reactivity and acidity. 3,5-Dinitro-4-methylbenzoic acid is often used in organic synthesis and as an intermediate in the production of dyes, pharmaceuticals, and agrochemicals. Safety precautions should be observed when handling this compound, as nitro compounds can be hazardous and may pose environmental risks.

Formula: C₈H₆N₂O₆

InChI: InChI=1/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)/p-1

InChI key: InChIKey=LZWWZQXBKVZKIP-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)C(N(=O)=O)=CC(C(O)=O)=C1

Synonyms:

• 3,5-Dinitro-4-Methylbenzoic Acid
• 3,5-Dinitro-4-toluic acid
• 3,5-Dinitro-P-Toluic Acid
• 4-Methyl-3,5-Dinitrobenzoate
• 4-Methyl-3,5-Dinitrobenzoic Acid
• Benzoic acid, 4-methyl-3,5-dinitro-
• NSC 5589
• p-Toluic acid, 3,5-dinitro-
• 3,5-Dinitro-4-methylbenzoic acid, 3,5-Dinitro-p-toluic acid
• 3,5-Dinitro-4-methylbenzenecarboxylic acid
• 3,5-Dinitro-p-toluic acid (COOH=1)

4-Methyl-3,5-dinitrobenzoic Acid

CAS: 16533-71-4

Formula: C₈H₆N₂O₆

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 226.14

Ref: 3B-D3291

Benzoic acid, 4-methyl-3,5-dinitro-

CAS: 16533-71-4

Formula: C₈H₆N₂O₆

Purity: 95%

Color and Shape: Solid

Molecular weight: 226.1430

Ref: IN-DA001W3Z

3,5-Dinitro-4-methylbenzoic acid

CAS: 16533-71-4

3,5-Dinitro-4-methylbenzoic acid

Formula: C₈H₆N₂O₆

Purity: >98%

Molecular weight: 226.14304

Ref: 54-OR43583

3,5-Dinitro-4-methylbenzoic acid

CAS: 16533-71-4

3,5-Dinitro-4-methylbenzoic acid is a compound that can be used in the synthesis of many organic compounds. It is an important reagent for the preparation of nitroarenes and it is also used as a precursor to other organic compounds. 3,5-Dinitro-4-methylbenzoic acid has been shown to have a hydrogen bond with malonic acid and can form an asymmetric hydrogen bond with the hydroxyl group of protonated water. 3,5-Dinitro-4-methylbenzoic acid has three different resonance structures and its x-ray diffraction data show that it has a cavity shape. This molecule can be found in the nmr spectra at around 8.3 ppm and its kinetic constants are given as k1 = 0.01 s−1 and k2 = 0.06 s−1 for the two reactions. 3,5-Dinitro-4-methylben

Formula: C₈H₆N₂O₆

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 226.14 g/mol

Ref: 3D-FD70597

3,5-Dinitro-p-toluic acid

CAS: 16533-71-4

3,5-Dinitro-p-toluic acid is a compound that is used in carbonylative lactamization.

Formula: C₈H₆N₂O₆

Color and Shape: Solid

Molecular weight: 226.14

Ref: TM-T20397

4-Methyl-3,5-dinitrobenzoic acid

CAS: 16533-71-4

4-Methyl-3,5-dinitrobenzoic acid

Formula: C₈H₆N₂O₆

Purity: 95%

Molecular weight: 226.14

Ref: IN-DG6003

3,5-Dinitro-4-methylbenzoic acid

CAS: 16533-71-4

Formula: C₈H₆N₂O₆

Purity: 95%

Color and Shape: Solid, Crystalline

Molecular weight: 226.144

Ref: 10-F065631