CAS 1251923-61-1

Benzoic acid, 4-amino-3-chloro-, methyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 4-amino-3-chloro-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its structural features, which include a benzoic acid moiety substituted with an amino group and a chlorine atom at specific positions on the aromatic ring. The presence of the methyl ester group indicates that the carboxylic acid functionality is esterified, which can influence its solubility and reactivity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, making it useful in various applications, including pharmaceuticals. The compound may exhibit biological activity due to the presence of the amino and chloro substituents, which can affect its interaction with biological targets. Its properties, such as melting point, boiling point, and spectral characteristics, would be determined by the specific arrangement of atoms and the functional groups present. Safety data should be consulted for handling and potential hazards associated with this compound, as it may have specific toxicity or reactivity concerns.

Formula: C₈H₈ClNO₂·ClH

InChI: InChI=1S/C8H8ClNO2.ClH/c1-12-8(11)5-2-3-7(10)6(9)4-5;/h2-4H,10H2,1H3;1H

InChI key: InChIKey=ZIQRONBGKJWSKA-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(Cl)=C(N)C=C1.Cl

Synonyms:

• Benzoic acid, 4-amino-3-chloro-, methyl ester, hydrochloride (1:1)