CAS 3987-92-6

Methyl 4-amino-3-nitrobenzoate

Description:

Methyl 4-amino-3-nitrobenzoate, also known as methyl 4-amino-3-nitrobenzoic acid, is an organic compound characterized by its aromatic structure, which includes a nitro group (-NO2) and an amino group (-NH2) attached to a benzoate moiety. The presence of these functional groups imparts both polar and non-polar characteristics to the molecule, influencing its solubility in various solvents. Typically, this compound appears as a solid at room temperature and may exhibit a yellowish color due to the nitro group. It is often used in organic synthesis and as an intermediate in the production of dyes, pharmaceuticals, and agrochemicals. The compound's reactivity is largely dictated by the amino and nitro groups, which can participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. Safety data indicates that, like many nitro compounds, it should be handled with care due to potential toxicity and environmental hazards. Proper storage and disposal methods are essential to mitigate risks associated with its use.

Formula: C₈H₈N₂O₄

InChI: InChI=1S/C8H8N2O4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,9H2,1H3

InChI key: InChIKey=HNTLUEZVPLRQEV-UHFFFAOYSA-N

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

Synonyms:

• 1-Amino-2-nitro-4-(methoxycarbonyl)benzene
• 2-Nitro-4-carbomethoxyaniline
• 4-Amino-3-nitrobenzoic acid methyl ester
• 4-Methoxycarbonyl-2-nitroaniline
• Benzoic acid, 4-amino-3-nitro-, methyl ester
• Methyl 3-nitro-4-aminobenzoate
• Methyl 4-amino-3-nitrobenzoate

Methyl 4-amino-3-nitrobenzoate, 97%

CAS: 3987-92-6

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: C₈H₈N₂O₄

Purity: 97%

Color and Shape: Yellow, Powder

Molecular weight: 196.16

Ref: 02-H34348

Methyl 4-amino-3-nitrobenzoate

CAS: 3987-92-6

Formula: C₈H₈N₂O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 196.1601

Ref: IN-DA0076VI

Methyl 4-amino-3-nitrobenzoate

CAS: 3987-92-6

Methyl 4-amino-3-nitrobenzoate

Formula: C₈H₈N₂O₄

Purity: ≥95%

Color and Shape: dark yellow powder

Molecular weight: 196.16g/mol

Ref: 54-OR15213

Methyl 4-amino-3-nitrobenzoate

CAS: 3987-92-6

Methyl 4-amino-3-nitrobenzoate is a synthetic compound that has been found to have a variety of uses. It has been used to prepare intramolecular hydrogen bonds in anilines, and it can be used as an intermediate to synthesize amides and anilines. This molecule also forms resonance structures with the nitro group, which allows for increased stability. The proton magnetic resonance spectra of Methyl 4-amino-3-nitrobenzoate show that the molecule has a high degree of symmetry, which is due to the presence of intramolecular hydrogen bonding.

Formula: C₈H₈N₂O₄

Purity: Min. 95%

Molecular weight: 196.16 g/mol

Ref: 3D-FM64246

Methyl 4-amino-3-nitrobenzenecarboxylate

CAS: 3987-92-6

Formula: C₈H₈N₂O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 196.162

Ref: 10-F077632