CAS 5471-82-9

Benzoic acid, 3-methyl-2-nitro-, methyl ester

Description:

Benzoic acid, 3-methyl-2-nitro-, methyl ester, with the CAS number 5471-82-9, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a methyl group and a nitro group attached to the benzene ring, specifically at the 3 and 2 positions, respectively. The presence of the nitro group contributes to its reactivity and potential applications in organic synthesis. Typically, this compound appears as a crystalline solid and is soluble in organic solvents. Its chemical structure suggests it may exhibit properties such as moderate polarity and potential for hydrogen bonding due to the carboxylate nature of the ester. Benzoic acid derivatives are often studied for their antimicrobial properties and use in various chemical reactions, including as intermediates in the synthesis of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock.

Formula: C₉H₉NO₄

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

InChI key: InChIKey=NJHDBIXFFZVJGZ-UHFFFAOYSA-N

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

Synonyms:

• 2-Nitro-3-methylbenzoic acid, methyl ester
• 3-Methyl-2-nitrobenzoic acid methyl ester
• Benzoic acid, 3-methyl-2-nitro-, methyl ester
• Methyl2-Nitro-3-Methylbenzoate
• Nsc 28461
• m-Toluic acid, 2-nitro-, methyl ester
• Methyl 3-methyl-2-nitrobenzoate

Methyl 3-methyl-2-nitrobenzoate, 98%

CAS: 5471-82-9

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: C₉H₉NO₄

Purity: 98%

Molecular weight: 195.17

Ref: 02-H61907

Methyl 3-methyl-2-nitrobenzoate

CAS: 5471-82-9

Formula: C₉H₉NO₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 195.1721

Ref: IN-DA003RSX

Methyl 3-methyl-2-nitrobenzoate

CAS: 5471-82-9

Methyl 3-methyl-2-nitrobenzoate

Formula: C₉H₉NO₄

Purity: 98%

Color and Shape: cream solid

Molecular weight: 195.17g/mol

Ref: 54-OR27752

Methyl 3-Methyl-2-nitrobenzoate

CAS: 5471-82-9

Formula: C₉H₉NO₄

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 195.17

Ref: 3B-M2213

Methyl 3-methyl-2-nitrobenzoate

CAS: 5471-82-9

Methyl 3-methyl-2-nitrobenzoate is a chiral, catalytic, and magnetic additive. It is used in the production of alkyl chlorides, cinnolines, and cyclic compounds. Methyl 3-methyl-2-nitrobenzoate can be used as a diagnostic for chloride ions or chlorine gas in water. It also has an important application in wastewater treatment by removing organics from wastewater effluent. Methyl 3-methyl-2-nitrobenzoate can be synthesized from allylic oxidation of methyl benzoate with sodium hypochlorite in the presence of copper sulfate catalyst. The reaction proceeds through an addition–elimination mechanism to produce the desired product and copper(II) chloride as a byproduct. The process occurs on a mesoporous material to increase surface area for the reaction to proceed more quickly and efficiently.

Formula: C₉H₉NO₄

Purity: Min. 95%

Molecular weight: 195.17 g/mol

Ref: 3D-FM70380

Methyl 3-Methyl-2-nitrobenzoate

CAS: 5471-82-9

Formula: C₉H₉NO₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 195.174

Ref: 10-F066779

Methyl 3-Methyl-2-nitrobenzoate

CAS: 5471-82-9

Formula: C₉H₉NO₄

Molecular weight: 195.17

Ref: ST-EA-CP-N41018