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CS-W001157 4
Total: USD 88.00

3-[(2-Chloro-4-nitrophenoxy)methyl]benzoic acid

  • CAS No. 30880-72-9

  • Cat. No. CS-0040699
  • Purity≥95%
  • MDL No.MFCD03421912

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

3-[(2-Chloro-4-nitrophenoxy)methyl]benzoic acid|CS-0040699

Structure of 30880-72-9

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General Information

  • CAS No. 30880-72-9
  • Cat. No. CS-0040699
  • Purity ≥95%
  • MDL No. MFCD03421912
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀ClNO₅
  • Molecular Weight 307.69
  • Synonym(s) 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
  • SMILES O=C(O)C1=CC=CC(COC2=CC=C([N+]([O-])=O)C=C2Cl)=C1

Synthesis

  • Route1
    • null|null
      30880-71-8
    • ~%
    • 3-[(2-Chloro-4-nitrophenoxy)methyl]benzoic acid|CS-0040699
      30880-72-9

    References

    • Baker,B.R.; Ashton,W.T. Journal of Medicinal Chemistry, 1970 , vol. 13, p. 1165 - 1170
  • Route2

    References

    • Baker,B.R.; Ashton,W.T. Journal of Medicinal Chemistry, 1970 , vol. 13, p. 1165 - 1170
  • Route3

    References

    • Baker,B.R.; Ashton,W.T. Journal of Medicinal Chemistry, 1970 , vol. 13, p. 1165 - 1170

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   3.5254
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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