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CS-W001157 4
Total: USD 88.00

(Z)-4-((2-chlorophenyl)amino)-4-oxobut-2-enoic acid

  • CAS No. 53616-16-3

  • Cat. No. CS-0357515
  • Molecule weight225.63
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(Z)-4-((2-chlorophenyl)amino)-4-oxobut-2-enoic acid|CS-0357515

Structure of 53616-16-3

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General Information

  • CAS No. 53616-16-3
  • Cat. No. CS-0357515
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO₃
  • Molecular Weight 225.63
  • Synonym(s) N-(o-Chlorophenyl)maleamidic acid
  • SMILES ClC1=CC=CC=C1NC(/C=C\C(O)=O)=O

Synthesis

  • Route1
    • null|null
      108-31-6
    • null|null
      95-51-2
    • ~98%
    • (Z)-4-((2-chlorophenyl)amino)-4-oxobut-2-enoic acid|CS-0357515
      53616-16-3

    References

    • Miller, Christopher W.; Hoyle, Charles E.; Valente, Edward J.; Magers, David H.; Joensson, E. Sonny Journal of Physical Chemistry A, 1999 , vol. 103, # 32 p. 6406 - 6412
  • Route2
    • null|null
      108-31-6
    • null|null
      91360-26-8
    • ~%
    • (Z)-4-((2-chlorophenyl)amino)-4-oxobut-2-enoic acid|CS-0357515
      53616-16-3

    References

    • Herz Journal of the American Chemical Society, 1945 , vol. 67, p. 1854

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.9193
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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