CAS 5409-45-0

Methyl 2-(acetylamino)-5-nitrobenzoate

Description:

Methyl 2-(acetylamino)-5-nitrobenzoate, with the CAS number 5409-45-0, is an organic compound that belongs to the class of benzoates. It features a methyl ester functional group, an acetylamino group, and a nitro group, which contribute to its chemical properties and reactivity. The presence of the nitro group typically imparts significant electron-withdrawing characteristics, influencing the compound's reactivity in electrophilic aromatic substitution reactions. The acetylamino group enhances solubility in polar solvents and can participate in hydrogen bonding, affecting the compound's overall stability and interactions. This compound is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of compounds with antibacterial or anti-inflammatory properties. Safety data should be consulted for handling and storage, as compounds with nitro groups can sometimes pose hazards.

Formula: C₁₀H₁₀N₂O₅

InChI: InChI=1S/C10H10N2O5/c1-6(13)11-9-4-3-7(12(15)16)5-8(9)10(14)17-2/h3-5H,1-2H3,(H,11,13)

InChI key: InChIKey=HAKPLTBAUCAFMV-UHFFFAOYSA-N

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

Synonyms:

• 2-Acetylamino-5-nitrobenzoic acid methyl ester
• Anthranilic acid, N-acetyl-5-nitro-, methyl ester
• Benzoic Acid, 2-(Acetylamino)-5-Nitro-, Methyl Ester
• Methyl 2-acetamido-5-nitrobenzoate
• NSC 12468
• Methyl 2-(acetylamino)-5-nitrobenzoate

Methyl 2-acetamido-5-nitrobenzoate

CAS: 5409-45-0

Formula: C₁₀H₁₀N₂O₅

Purity: 95%

Color and Shape: Solid

Molecular weight: 238.1968

Ref: IN-DA003RM6

Methyl 2-(acetylamino)-5-nitrobenzoate

CAS: 5409-45-0

Methyl 2-(acetylamino)-5-nitrobenzoate

Purity: 95%

Molecular weight: 238.20g/mol

Ref: 54-OR27512

2-Acetamido-5-nitrobenzoic acid methyl ester

CAS: 5409-45-0

2-Acetamido-5-nitrobenzoic acid methyl ester is an organic molecule that has the chemical formula C7H6N2O4. This compound belongs to a class of compounds called diazo compounds, which are characterized by a nitrogen atom with two bonds to carbon atoms and one bond to oxygen. 2-Acetamido-5-nitrobenzoic acid methyl ester is soluble in water and methanol. It has been shown to be chiral and exhibits optical activity. The experimental results show that the compound can exist in two different forms or conformations, which are distinguished by their x-ray diffraction patterns. These conformers have been identified as (1) the protonated form and (2) the torsion form. The protonated conformer has a molecular structure that contains a benzene ring with a hydrogen atom attached to it, while the torsion conformer does not contain this hydrogen atom

Formula: C₁₀H₁₀N₂O₅

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 238.2 g/mol

Ref: 3D-FA70850

Methyl 2-(Acetylamino)-5-nitrobenzoate

CAS: 5409-45-0

Formula: C₁₀H₁₀N₂O₅

Purity: 95%

Molecular weight: 238.199

Ref: 10-F066740