CAS 7356-11-8

Benzoic acid, 4-methyl-3-nitro-, methyl ester

Description:

Benzoic acid, 4-methyl-3-nitro-, methyl ester, also known by its CAS number 7356-11-8, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a methyl ester group attached to the carboxylic acid, along with a nitro group and a methyl group on the aromatic ring, contributing to its unique chemical properties. It typically appears as a solid or liquid at room temperature, depending on its purity and specific conditions. The presence of the nitro group introduces significant polarity, affecting its solubility in various solvents, while the methyl ester enhances its volatility and reactivity. This compound is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, agrochemicals, or other fine chemicals. Its reactivity can be influenced by the electron-withdrawing nature of the nitro group, making it a valuable compound in various chemical reactions, including nucleophilic substitutions and esterifications. Safety precautions should be observed when handling this compound due to potential toxicity and environmental impact.

Formula: C₉H₉NO₄

InChI: InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3

InChI key: InChIKey=YFPBHPCMYFCRKS-UHFFFAOYSA-N

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

Synonyms:

• 4-Methyl-3-Nitrobenzoic Acid Methyl Ester
• Benzoic acid, 4-methyl-3-nitro-, methyl ester
• Methyl 3-Nitro-4-Methyl benzoate
• Methyl 3-nitro-4-methylbenzoate
• Methyl3-Nitro-4-Methylbenzoate
• NSC 29086
• p-Toluic acid, 3-nitro-, methyl ester
• Methyl 4-methyl-3-nitrobenzoate

Methyl 4-methyl-3-nitrobenzoate

CAS: 7356-11-8

Formula: C₉H₉NO₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 195.1721

Ref: IN-DA003LQR

Methyl 4-methyl-3-nitrobenzoate

CAS: 7356-11-8

Methyl 4-methyl-3-nitrobenzoate

Formula: C₉H₉NO₄

Purity: ≥95%

Color and Shape: white solid

Molecular weight: 195.17g/mol

Ref: 54-OR110363

Methyl 4-Methyl-3-nitrobenzoate

CAS: 7356-11-8

Formula: C₉H₉NO₄

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 195.17

Ref: 3B-M2146

Methyl 4-methyl-3-nitrobenzoate

CAS: 7356-11-8

Formula: C₉H₉NO₄

Purity: 97%

Color and Shape: Solid, White powder

Molecular weight: 195.174

Ref: 10-F078891

Methyl 4-methyl-3-nitrobenzoate

CAS: 7356-11-8

Methyl 4-methyl-3-nitrobenzoate is a chemical compound with the molecular formula CHNO. It is a white solid that can be used as a reagent in organic synthesis, and is also used as a building block in organic chemistry. The CAS number for methyl 4-methyl-3-nitrobenzoate is 7356-11-8.

Formula: C₉H₉NO₄

Purity: Min. 95%

Molecular weight: 195.17 g/mol

Ref: 3D-FM36861

Methyl 4-Methyl-3-nitrobenzoate-D6

Controlled Product

CAS: 7356-11-8

Applications Methyl 4-Methyl-3-nitrobenzoate-D6 is an intermediate in the synthesis of Nilotinib-d6 (N465303), which is the labeled analogue of Nilotinib (N465300), which might be useful in treatment of chronic myelogenous leukemia.
References Corbin, A., et al.: J. Biol. Chem., 277, 32214(2002), Golemovic, M., et al.: Clin. Cancer Res., 11, 4941 (2005), Gleixner, K., et al.: Blood, 107, 752 (2006), Nicolini, F., et al.: Leukemia, 20, 1061 (2006),

Formula: C₉D₆H₃NO₄

Color and Shape: Neat

Molecular weight: 201.209

Ref: TR-M339056