CAS 864293-46-9

Benzoic acid, 2-amino-3-bromo-5-fluoro-, methyl ester

Description:

Benzoic acid, 2-amino-3-bromo-5-fluoro-, methyl ester, identified by its CAS number 864293-46-9, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with a methyl ester group, which contributes to its solubility and reactivity. The presence of amino, bromo, and fluoro substituents on the aromatic ring significantly influences its chemical properties, including its acidity, reactivity, and potential biological activity. The amino group can participate in hydrogen bonding and may enhance the compound's interaction with biological targets, while the bromo and fluoro groups can affect its electronic properties and lipophilicity. This compound may be of interest in pharmaceutical research and development due to its potential applications in medicinal chemistry. Additionally, its unique combination of halogen and amino functionalities may provide pathways for further chemical modifications, making it a versatile intermediate in organic synthesis. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity and reactivity.

Formula: C₈H₇BrFNO₂

InChI: InChI=1S/C8H7BrFNO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3

InChI key: InChIKey=PVUADFGTWZCZTQ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N)C(Br)=CC(F)=C1

Synonyms:

• Benzoic acid, 2-amino-3-bromo-5-fluoro-, methyl ester
• Methyl 2-amino-3-bromo-5-fluorobenzoate

Methyl 2-amino-3-bromo-5-fluorobenzoate

CAS: 864293-46-9

Versatile small molecule scaffold

Formula: C₈H₇BrFNO₂

Purity: Min. 95%

Molecular weight: 248.05 g/mol

Ref: 3D-PJB29346