CAS 1975-51-5

2-Methyl-4-nitrobenzoic acid

Description:

2-Methyl-4-nitrobenzoic acid is an aromatic carboxylic acid characterized by the presence of both a methyl group and a nitro group on the benzene ring. Its molecular formula is C8H9NO4, indicating the presence of eight carbon atoms, nine hydrogen atoms, one nitrogen atom, and four oxygen atoms. The compound features a carboxylic acid functional group (-COOH), which contributes to its acidic properties. It is typically a yellow crystalline solid at room temperature and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water. The nitro group (-NO2) introduces significant polarity and can influence the compound's reactivity, making it useful in various chemical syntheses and applications. 2-Methyl-4-nitrobenzoic acid is often employed in the production of dyes, pharmaceuticals, and agrochemicals. As with many nitro compounds, it should be handled with care due to potential toxicity and environmental concerns.

Formula: C₈H₇NO₄

InChI: InChI=1S/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChI key: InChIKey=XXXOBNJIIZQSPT-UHFFFAOYSA-N

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

Synonyms:

• 2-Methyl-4-Nitro-Benzoic Acid
• 2-Methyl-4-Nitrobenzoic Acid
• 4-Nitro-2-MethylbenzoicAcid
• 4-Nitro-2-methylbenzoic acid
• Benzoic acid, 2-methyl-4-nitro-
• NSC 227948
• o-Toluic acid, 4-nitro-
• 4-Nitro-o-toluic acid

2-Methyl-4-nitrobenzoic acid, 97%

CAS: 1975-51-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₇NO₄

Purity: 97%

Color and Shape: Cream to pale yellow, Powder

Molecular weight: 181.15

Ref: 02-H31332

Benzoic acid, 2-methyl-4-nitro-

CAS: 1975-51-5

Formula: C₈H₇NO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 181.1455

Ref: IN-DA002AUK

2-Methyl-4-nitrobenzoic acid

CAS: 1975-51-5

2-Methyl-4-nitrobenzoic acid

Formula: C₈H₇NO₄

Purity: ≥95%

Color and Shape: faint yellow crystalline needles

Molecular weight: 181.15g/mol

Ref: 54-OR59451

Tolvaptan Impurity 31

CAS: 1975-51-5

Formula: C₈H₇NO₄

Molecular weight: 181.15

Ref: 4Z-T-6936

2-Methyl-4-nitrobenzoic acid

CAS: 1975-51-5

2-Methyl-4-nitrobenzoic acid is a synthetic drug substance. The crystalline structure of 2-methyl-4-nitrobenzoic acid is polymorphic and it can be obtained in two different forms: anhydrous form and monohydrate form. The reaction yield for this compound is low, which may be due to the presence of additives or deionized water. This drug substance has a high solubility in hydroxide solutions and methylbenzene. It reacts slowly with hydrochloric acid and sodium hydroxide solution to produce 2-methyl-4-nitrobenzoic acid hydrochloride and sodium benzoate, respectively. 2-Methyl-4-nitrobenzoic acid has low bioavailability due to its poor absorption from the gastrointestinal tract into the bloodstream.

Formula: C₈H₇NO₄

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 181.15 g/mol

Ref: 3D-FM10684

2-Methyl-4-nitrobenzoic acid

CAS: 1975-51-5

Formula: C₈H₇NO₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 181.147

Ref: 10-F065652

2-Methyl-4-nitrobenzoic Acid

Controlled Product

CAS: 1975-51-5

Applications 2-Methyl-4-nitrobenzoic acid is used as a reagent to synthesize amino-1H-pyrazole amide derivatives, compounds that act as Raf kinase inhibitors in melanoma cells. 2-Methyl-4-nitrobenzoic acid is also used as a reagent to synthesize fluorogenic substrates, compounds that can be used for activity imaging within living cells.
References Fujikawa, Y., et al.: J. Am. Chem. Soc., 130, 14533 (2008); Kim, M., et al.: Bioorg. Med. Chem., 19, 1915 (2011)

Formula: C₈H₇NO₄

Color and Shape: Neat

Molecular weight: 181.15

Ref: TR-M320435

Tolvaptan Impurity 31

CAS: 1975-51-5

Formula: C₈H₇NO₄

Molecular weight: 181.15

Ref: ST-EA-CP-T26090