CAS 76918-64-4

Benzoic acid, 4-amino-3-nitro-, ethyl ester

Description:

Benzoic acid, 4-amino-3-nitro-, ethyl ester, identified by CAS number 76918-64-4, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a nitro group and an amino group positioned on the benzene ring, which significantly influence its chemical reactivity and properties. Typically, it appears as a solid or liquid depending on the specific conditions, and it is soluble in organic solvents. The presence of the amino and nitro groups suggests potential for hydrogen bonding and reactivity in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. This compound may be utilized in organic synthesis, pharmaceuticals, or as an intermediate in the production of dyes and agrochemicals. Safety data should be consulted, as compounds with nitro and amino groups can exhibit varying degrees of toxicity and environmental impact. Proper handling and disposal according to safety guidelines are essential when working with this substance.

Formula: C₉H₁₀N₂O₄

InChI: InChI=1S/C9H10N2O4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2,10H2,1H3

InChI key: InChIKey=HPCYANYWTUCLMH-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(C(OCC)=O)=CC=C1N

Synonyms:

• 2-Nitro-4-(ethoxycarbonyl)aniline
• 4-Amino-3-nitro-ethylbenzoate
• 4-Amino-3-nitrobenzoic acid ethyl ester
• Benzoic acid, 4-amino-3-nitro-, ethyl ester
• Ethyl 4-Amino-3-Nitrobenzoate
• Ethyl 3-nitro-4-aminobenzoate

Ethyl 4-amino-3-nitrobenzoate

CAS: 76918-64-4

Formula: C₉H₁₀N₂O₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 210.1867

Ref: IN-DA0057QD

Ethyl 4-amino-3-nitrobenzoate

CAS: 76918-64-4

Ethyl 4-amino-3-nitrobenzoate

Purity: ≥95%

Molecular weight: 210.19g/mol

Ref: 54-OR110387

Ethyl 4-amino-3-nitrobenzoate

CAS: 76918-64-4

Ethyl 4-amino-3-nitrobenzoate is a molecule that is used as an inhibitor of butyrylcholinesterase. It has been shown to have inhibitory effects on enzymes such as cholinesterase, which are involved in the breakdown of acetylcholine and other neurotransmitters. Ethyl 4-amino-3-nitrobenzoate is a dihydrate and it has been found to be an efficient inhibitor of butyrylcholinesterase with a KI value of 0.2 mM. Single crystal x-ray diffraction analysis showed that the compound was centrosymmetric with hydrogen bonding interactions. The parameters were rationalized by this analysis, which led to the discovery of a more efficient method for synthesizing this molecule.

Formula: C₉H₁₀N₂O₄

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 210.19 g/mol

Ref: 3D-FE68072

ETHYL 4-AMINO-3-NITROBENZOATE

CAS: 76918-64-4

Formula: C₉H₁₀N₂O₄

Purity: 97%

Molecular weight: 210.189

Ref: 10-F470930