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CAS 4213-40-5

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

Description:
2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid, with CAS number 4213-40-5, is a synthetic organic compound characterized by its complex structure, which includes a diazo group and a benzoic acid moiety. This compound features a bis(2-chloroethyl)amino group, which is known for its reactivity and potential use in medicinal chemistry, particularly in the development of anticancer agents. The presence of the diazenyl group suggests potential applications in dye chemistry or as a biological probe due to its ability to undergo various chemical transformations. The compound is likely to exhibit moderate solubility in organic solvents, while its acidic functional group may impart some solubility in polar solvents. Additionally, the presence of chlorine atoms may influence its reactivity and biological interactions. Overall, this compound's unique structure positions it as a candidate for further research in both synthetic and medicinal chemistry contexts.
Formula:C18H19Cl2N3O2
InChI:InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)
InChI key:InChIKey=JRQFCUCILBFUNR-UHFFFAOYSA-N
SMILES:N(CCCl)(CCCl)C1=CC(C)=C(N=NC2=C(C(O)=O)C=CC=C2)C=C1
Synonyms:
  • Benzoic acid, o-[[4-[(2-chloroethyl)amino]-o-tolyl]azo]-
  • Benzoic acid, 2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]-
  • 2-[2-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
  • Benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azo]-
  • 2-[(E)-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl]benzoic acid
  • Azo-mustard
  • benzoic acid, 2-[(E)-2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]-
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