CAS 21961-31-9: Benzoic acid, 3-amino-5-chloro-, methyl ester

Description: Benzoic acid, 3-amino-5-chloro-, methyl ester, identified by the CAS number 21961-31-9, is an organic compound characterized by its benzoic acid structure modified with an amino group and a chlorine atom at specific positions on the aromatic ring, along with a methyl ester functional group. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the amino group imparts basic properties, while the ester functionality can participate in various chemical reactions, including hydrolysis and transesterification. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its synthesis often involves the chlorination of a suitable precursor followed by amination and esterification steps. As with many chemical substances, proper handling and safety precautions are essential due to potential toxicity and environmental impact.

Formula: C₈H₈ClNO₂

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

InChI key: InChIKey=ORKTXZHKYFWCRB-UHFFFAOYSA-N

SMILES: O=C(OC)C=1C=C(Cl)C=C(N)C1

Synonyms:

• 3-Amino-5-chlorobenzoic acid methyl ester
• 5-Carbomethoxy-3-chloroaniline
• Benzoic Acid, 3-Amino-5-Chloro-, Methyl Ester
• Methyl 3-amino-5-chlorobenzoate

Methyl 3-amino-5-chlorobenzoate

CAS: 21961-31-9

• Formula: C₈H₈ClNO₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 185.6076

Methyl 3-amino-5-chlorobenzoate

CAS: 21961-31-9

• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 185.61g/mol

Methyl 3-amino-5-chlorobenzoate

CAS: 21961-31-9

• Purity: 95.0%
• Color and Shape: Solid
• Molecular weight: 185.61000061035156

Methyl 3-amino-5-chlorobenzoate

CAS: 21961-31-9

Methyl 3-amino-5-chlorobenzoate (3ACB) is a heterocyclic compound that contains a nitrogen atom and a heteroatom. …

• Formula: C₈H₈ClNO₂
• Purity: Min. 95%
• Molecular weight: 185.61 g/mol