CAS 157069-48-2

4-(4H-1,2,4-triazol-4-yl)benzoic acid

Description:

4-(4H-1,2,4-triazol-4-yl)benzoic acid, with the CAS number 157069-48-2, is a chemical compound characterized by its triazole and benzoic acid functional groups. This substance features a triazole ring, which is a five-membered heterocyclic compound containing three nitrogen atoms, contributing to its potential biological activity. The benzoic acid moiety provides acidity due to the carboxylic acid group (-COOH), which can participate in hydrogen bonding and influence solubility and reactivity. This compound is often studied for its applications in pharmaceuticals, particularly as a potential antifungal or antibacterial agent, due to the presence of the triazole ring, which is known for its ability to inhibit certain enzymes in pathogens. Additionally, its structural characteristics may allow for interactions with various biological targets, making it of interest in medicinal chemistry. The compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents, depending on the specific conditions.

Formula: C₉H₇N₃O₂

InChI: InChI=1/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-5-10-11-6-12/h1-6H,(H,13,14)

SMILES: c1cc(ccc1C(=O)O)n1cnnc1

Synonyms:

• benzoic acid, 4-(4H-1,2,4-triazol-4-yl)-

Benzoic acid, 4-(4H-1,2,4-triazol-4-yl)-

CAS: 157069-48-2

Formula: C₉H₇N₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 189.1708

Ref: IN-DA001P6M

4-(4H-1,2,4-Triazol-4-yl)benzoic acid

CAS: 157069-48-2

4-(4H-1,2,4-Triazol-4-yl)benzoic acid

Purity: 98%

Molecular weight: 189.17g/mol

Ref: 54-OR91506

4-(4H-1,2,4-Triazol-4-yl)benzoic Acid

CAS: 157069-48-2

Formula: C₉H₇N₃O₂

Purity: >98.0%(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 189.17

Ref: 3B-T3788

4-(4H-1,2,4-triazol-4-yl)benzoic acid

CAS: 157069-48-2

Formula: C₉H₇N₃O₂

Purity: 97%

Color and Shape: Solid, White powder

Molecular weight: 189.174

Ref: 10-F309605

4-[1,2,4]Triazol-4-yl-benzoic acid

CAS: 157069-48-2

4-Triazol-4-ylbenzoic acid is a bifunctional molecule that can be used to activate carboxylate groups. 4-Triazol-4-ylbenzoic acid contains chloride and nitrogen atoms, which are necessary for the chemical stability of the compound. This molecule has been shown to have luminescence properties in the presence of various metals and metal ions, such as copper and silver ions. 4-Triazol-4-ylbenzoic acid is also stable in basic solutions due to its basic structure. The crystal x-ray diffraction of this molecule shows that it has a linker that can bind with water molecules and form an H2O tetramer.

Formula: C₉H₇N₃O₂

Purity: Min. 95%

Molecular weight: 189.2 g/mol

Ref: 3D-HGA06948