4-Toluic acid

CAS: 99-94-5

Ref. 3D-FT38107

Información del producto

• Nombre: 4-Toluic acid
• Marca: Biosynth

Descripción

4-Toluic acid is a chemical compound with the molecular formula CH3C6H2O2. It is a white solid that is soluble in water and alcohol. 4-Toluic acid can be produced by oxidation of benzoate, which is a reaction catalyzed by light or by using a catalyst such as trifluoroacetic acid. The reaction mechanism begins with the formation of the intramolecular hydrogen and subsequent oxidation to form an organic radical. This organic radical then reacts with oxygen to produce 4-toluic acid. 4-Toluic acid has been shown to have biochemical properties such as enzyme inhibition, DNA cleavage, and protein denaturation. The coordination geometry for this molecule is octahedral, and its redox potentials are -0.27 V (in acidic solution) and -1.06 V (in alkaline solution).

Propiedades químicas

• Peso molecular: 136.15 g/mol
• Fórmula: C₈H₈O₂
• Pureza: Min. 98 Area-%
• Color/Forma: White Powder
• InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
• Clave InChI: InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-N
• SMILES: Cc1ccc(C(=O)O)cc1