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CAS 53553-15-4

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Benzoic acid, 3-amino-2-chloro-, methyl ester, hydrochloride (1:1)

Description:
Benzoic acid, 3-amino-2-chloro-, methyl ester, hydrochloride (1:1), with the CAS number 53553-15-4, is a chemical compound that features a benzoic acid core modified with an amino group and a chlorine atom at specific positions on the aromatic ring. This compound exists as a hydrochloride salt, which enhances its solubility in water and may influence its biological activity. The presence of the amino group suggests potential for basicity, while the methyl ester indicates that it can undergo hydrolysis to release benzoic acid and methanol. The chlorine substituent can affect the compound's reactivity and interaction with biological systems. Typically, such compounds are of interest in pharmaceutical research due to their potential therapeutic properties, including antimicrobial or anti-inflammatory effects. Additionally, the structural modifications can influence the compound's pharmacokinetics and pharmacodynamics, making it a subject of study in medicinal chemistry. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C8H8ClNO2·ClH
InChI:InChI=1S/C8H8ClNO2.ClH/c1-12-8(11)5-3-2-4-6(10)7(5)9;/h2-4H,10H2,1H3;1H
InChI key:InChIKey=QTECUMBUQUXCIO-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(Cl)C(N)=CC=C1.Cl
Synonyms:
  • Methyl 3-amino-2-chlorobenzoate hydrochloride
  • Benzoic acid, 3-amino-2-chloro-, methyl ester, hydrochloride
  • Benzoic acid, 3-amino-2-chloro-, methyl ester, hydrochloride (1:1)
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