CAS 1244642-76-9

Benzoic acid, 3-amino-4,5-difluoro-, methyl ester

Description:

Benzoic acid, 3-amino-4,5-difluoro-, methyl ester, identified by CAS number 1244642-76-9, is an organic compound characterized by its benzoic acid structure modified with an amino group and two fluorine atoms at specific positions on the aromatic ring. This compound features a methyl ester functional group, which enhances its solubility in organic solvents. The presence of the amino group introduces basic properties, while the difluoromethyl substituents can influence its reactivity and polarity. Generally, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. The fluorine atoms can also affect the compound's lipophilicity and metabolic stability. In terms of physical properties, it is likely to be a solid at room temperature, with potential applications in various fields, including medicinal chemistry and materials science. Safety data should be consulted for handling and usage, as the presence of fluorine and amino groups can impart specific hazards.

Formula: C₈H₇F₂NO₂

InChI: InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,11H2,1H3

InChI key: InChIKey=SWANLCBKKWRKNW-UHFFFAOYSA-N

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

Synonyms:

• Methyl 3-amino-4,5-difluorobenzoate
• Benzoic acid, 3-amino-4,5-difluoro-, methyl ester