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CS-W001157 4
Total: USD 88.00

3-Chloro-4-phenoxyaniline

  • CAS No. 5335-29-5

  • Cat. No. CS-0188351
  • Molecule weight219.67
  • Purity≥95%
  • MDL No.None

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

3-Chloro-4-phenoxyaniline|CS-0188351

Structure of 5335-29-5

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General Information

  • CAS No. 5335-29-5
  • Cat. No. CS-0188351
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀ClNO
  • Molecular Weight 219.67
  • Synonym(s) 3-chloro-4-phenoxyaniline HCl
  • SMILES C1=CC=C(C=C1)OC2=C(C=C(C=C2)N)Cl

Synthesis

  • Route1
    • null|null
      56966-69-9
    • ~51%
    • 3-Chloro-4-phenoxyaniline|CS-0188351
      5335-29-5

    References

    • Steffen, Jamin D.; Coyle, Donna L.; Damodaran, Komath; Beroza, Paul; Jacobson, Myron K. Journal of Medicinal Chemistry, 2011 , vol. 54, # 15 p. 5403 - 5413
  • Route2
    • 2-Chloro-1-fluoro-4-nitrobenzene Afatinib Impurity|CS-0167290
      350-30-1
    • null|null
      7439-89-6
    • null|null
      108-95-2
    • ~88%
    • 3-Chloro-4-phenoxyaniline|CS-0188351
      5335-29-5

    References

    • American Home Products Corporation Patent: US2002/26052 A1, 2002 ;
  • Route3

    References

    • Steffen, Jamin D.; Coyle, Donna L.; Damodaran, Komath; Beroza, Paul; Jacobson, Myron K. Journal of Medicinal Chemistry, 2011 , vol. 54, # 15 p. 5403 - 5413

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   3.7145
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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