CAS 13091-44-6

2-(Acetylamino)-3-bromo-5-methylbenzoic acid

Description:

2-(Acetylamino)-3-bromo-5-methylbenzoic acid, with the CAS number 13091-44-6, is an organic compound that belongs to the class of benzoic acids. This substance features a benzoic acid core substituted with an acetylamino group and a bromo group, as well as a methyl group, which contributes to its unique chemical properties. The presence of the acetylamino group enhances its solubility in polar solvents, while the bromo substituent introduces halogen characteristics, potentially affecting reactivity and stability. The compound is likely to exhibit both acidic and basic properties due to the carboxylic acid functional group and the amine component. Its molecular structure suggests potential applications in pharmaceuticals, particularly in drug design and synthesis, due to the presence of functional groups that can participate in various chemical reactions. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry. Proper handling and safety measures should be observed, as with all chemical substances, to mitigate any potential hazards associated with its use.

Formula: C₁₀H₁₀BrNO₃

InChI: InChI=1S/C10H10BrNO3/c1-5-3-7(10(14)15)9(8(11)4-5)12-6(2)13/h3-4H,1-2H3,(H,12,13)(H,14,15)

InChI key: InChIKey=JPGVRAIZAWFEQE-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-(acetylamino)-3-bromo-5-methyl-
• m-Toluic acid, 6-acetamido-5-bromo-
• 3-Bromo-2-acetamido-5-methylbenzoic acid
• 2-(Acetylamino)-3-bromo-5-methylbenzoic acid