CAS 6939-93-1

4-Bromo-1,3-benzenedicarboxylic acid

Description:

4-Bromo-1,3-benzenedicarboxylic acid, with the CAS number 6939-93-1, is an aromatic compound characterized by the presence of two carboxylic acid groups (-COOH) and a bromine substituent on a benzene ring. This compound features a symmetrical structure, where the bromine atom is positioned at the para position relative to one of the carboxylic acid groups. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid functional groups. The compound is of interest in organic synthesis and materials science, often serving as a building block for more complex molecules or polymers. Its bromine substituent can enhance reactivity in electrophilic substitution reactions, while the carboxylic acid groups can participate in hydrogen bonding and contribute to the compound's overall acidity. Additionally, 4-bromo-1,3-benzenedicarboxylic acid may exhibit interesting properties such as potential antimicrobial activity or utility in dye synthesis, making it relevant in various chemical research applications.

Formula: C₈H₅BrO₄

InChI: InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChI key: InChIKey=MSQIEZXCNYUWHN-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(C(O)=O)=CC=C1Br

Synonyms:

• 1,3-Benzenedicarboxylic acid, 4-bromo-
• 1,3-Dicarboxy-4-bromobenzene
• 1-Bromobenzene-2,4-dicarboxylic acid
• 2-Bromobenzene-1,5-dicarboxylic acid
• 4-Bromo-1,3-benzenedicarboxylic acid
• 4-Bromobenzene-1,3-Dicarboxylate
• 4-Bromobenzene-1,3-dicarboxylic acid
• Isophthalic acid, 4-bromo-
• NSC 38770
• 4-Bromoisophthalic acid

4-Bromoisophthalic acid, 96%

CAS: 6939-93-1

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: C₈H₅BrO₄

Purity: 96%

Color and Shape: Powder or lumps, White

Molecular weight: 245.03

Ref: 02-A13152

4-Bromoisophthalic acid

CAS: 6939-93-1

Formula: C₈H₅BrO₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 245.0269

Ref: IN-DA003L03

4-Bromoisophthalic Acid

CAS: 6939-93-1

Formula: C₈H₅BrO₄

Purity: >97.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 245.03

Ref: 3B-B1260

4-Bromoisophthalic acid

CAS: 6939-93-1

4-Bromoisophthalic acid

Formula: C₈H₅BrO₄

Purity: 98%

Color and Shape: white solid

Molecular weight: 245.03g/mol

Ref: 54-OR3158

4-Bromoisophthalic Acid

CAS: 6939-93-1

Formula: C₈H₅BrO₄

Color and Shape: Neat

Ref: TR-B686208

4-Bromoisophthalic acid

CAS: 6939-93-1

4-Bromoisophthalic acid is a molecule with a carboxyl group at one end, and a bromine and an isophthalic acid group at the other. It has been shown to bind to the 5-HT7 receptor, which regulates the release of glutamate in neurons and affects the concentration of Ca2+ within cells. 4-Bromoisophthalate inhibits bacterial enzyme carboxylesterase using a mechanism that involves hydrogen bonding interactions. This inhibition prevents the breakdown of 3-mercaptopropionic acid, which would otherwise inhibit Pparγ activation. The structural similarity between 4-bromoisophthalate and xanthinol nicotinate (XNT) was observed by FTIR spectroscopy, allowing for asymmetric synthesis of this molecule.

Formula: C₈H₅BrO₄

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 245.03 g/mol

Ref: 3D-FB70693

4-Bromoisophthalic acid

CAS: 6939-93-1

Formula: C₈H₅BrO₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 245.028

Ref: 10-F001005