CAS 2363-16-8

Methyl 4-bromo-3-nitrobenzoate

Description:

Methyl 4-bromo-3-nitrobenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both a bromine and a nitro group. It is a derivative of benzoic acid, where the carboxylic acid group is esterified with methanol, forming a methyl ester. The presence of the bromine atom at the para position and the nitro group at the meta position relative to the ester group contributes to its unique reactivity and properties. This compound is typically a yellow to brown solid and is soluble in organic solvents such as ethanol and acetone, but less soluble in water. Methyl 4-bromo-3-nitrobenzoate can be used in various chemical syntheses, including the preparation of pharmaceuticals and agrochemicals, due to its electrophilic nature. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Proper handling and storage are essential, as with many halogenated and nitro compounds, due to potential toxicity and environmental concerns.

Formula: C₈H₆BrNO₄

InChI: InChI=1/C8H6BrNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3

SMILES: COC(=O)c1ccc(c(c1)N(=O)=O)Br

Synonyms:

• 4-Bromo-3-nitrobenzoic acid methyl ester
• 4-BROMO-3-NITRO-BENZOIC ACID METHYL ESTER
• METHYL 4-BROMO-3-NITROBENZOATE
• 4-BROMO-3-NITRO-BENZOIC ACID METHYL ESTER >98%
• RARECHEM AH CK 0043

Methyl 4-Bromo-3-nitrobenzoate

CAS: 2363-16-8

Formula: C₈H₆BrNO₄

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 260.04

Ref: 3B-M2596

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

CAS: 2363-16-8

Formula: C₈H₆BrNO₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 260.0415

Ref: IN-DA002NYS

Methyl 4-bromo-3-nitrobenzoate

CAS: 2363-16-8

Methyl 4-bromo-3-nitrobenzoate

Purity: ≥95%

Color and Shape: White Solid

Molecular weight: 260.04g/mol

Ref: 54-OR8177

Methyl 4-bromo-3-nitrobenzoate

CAS: 2363-16-8

Methyl 4-bromo-3-nitrobenzoate is a methoxy-substituted methyl ester of 3-nitrobenzoic acid. It has been shown to bind to copper ions with high affinity, and can be used to regulate the uptake of copper ions in cells. Methyl 4-bromo-3-nitrobenzoate is a ligand for many metal ions, and can be used as a predictable, conformationally constrained framework for drug design. Selectivities are achieved by carboxylate substituents and nitro groups on the benzene ring. The asymmetric center allows for conformational control of the molecule, which can be exploited in drug design.

Formula: C₈H₆BrNO₄

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 260.04 g/mol

Ref: 3D-FM29251

4-Bromo-3-nitro-benzoic acid methyl ester

CAS: 2363-16-8

Formula: C₈H₆BrNO₄

Purity: 97%

Color and Shape: Crystalline

Molecular weight: 260.043

Ref: 10-F009755