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CAS 1141-37-3

:

4-[Bis(2-chloroethyl)amino]benzoic acid

Description:
4-[Bis(2-chloroethyl)amino]benzoic acid, with the CAS number 1141-37-3, is a chemical compound that features a benzoic acid moiety substituted with a bis(2-chloroethyl)amino group. This compound is characterized by its aromatic structure, which contributes to its stability and reactivity. The presence of the bis(2-chloroethyl)amino group indicates that it has potential applications in medicinal chemistry, particularly as an alkylating agent in cancer treatment, due to the reactivity of the chloroethyl groups. The carboxylic acid functional group in the benzoic acid portion provides acidic properties, allowing for potential interactions in biological systems. Additionally, this compound may exhibit moderate solubility in polar solvents, influenced by the presence of both hydrophobic aromatic and hydrophilic carboxylic acid functionalities. Its chemical behavior, including reactivity and solubility, makes it of interest in various fields, including pharmaceuticals and organic synthesis. Safety and handling precautions are essential due to the presence of chlorine atoms, which can pose health risks.
Formula:C11H13Cl2NO2
InChI:InChI=1/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,5-8H2,(H,15,16)
InChI key:InChIKey=PCLQMXVMRDPVKX-UHFFFAOYSA-N
SMILES:N(CCCl)(CCCl)C1=CC=C(C(O)=O)C=C1
Synonyms:
  • Benzoic acid, 4-[bis(2-chloroethyl)amino]-
  • p-[Bis(2-chloroethyl)amino]benzoic acid
  • Benzoic acid, p-[bis(2-chloroethyl)amino]-
  • Benzoic acid, 4-(bis(2-chloroethyl)amino)- (9CI)
  • Benzoic acid, 4-(bis(2-chloroethyl)amino)-
  • 4-N-Bis(2-chloroethyl)aminobenzoic acid
  • 4-(Bis(2-chloroethyl)amino)benzoic acid
  • 4-[Bis(2-chloroethyl)amino]benzoic acid
  • p-[N,N-Bis(2-chloroethyl)amino]benzoic acid
  • BRN 0988858
  • See more synonyms
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