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CS-W001157 4
Total: USD 88.00

4-Phosphonobenzoic acid

  • CAS No. 618-21-3

  • Cat. No. CS-0313950
  • Purity95+%
  • MDL No.None

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

4-Phosphonobenzoic acid|CS-0313950

Structure of 618-21-3

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General Information

  • CAS No. 618-21-3
  • Cat. No. CS-0313950
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇O₅P
  • Molecular Weight 202.10
  • Synonym(s) 4-Carboxyphenylphosphonic Acid
  • SMILES C1=C(C=CC(=C1)P(=O)(O)O)C(=O)O

Synthesis

  • Route1

    References

    • Bravo-Altamirano, Karla; Montchamp, Jean-Luc Tetrahedron Letters, 2007 , vol. 48, # 33 p. 5755 - 5759
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • In-stock
      4-Phosphonobenzoic acid|CS-0313950
      618-21-3

    References

    • Doak; Freedman Journal of the American Chemical Society, 1951 , vol. 73, p. 5658
  • Route3
    • null|null
      20783-50-0
    • ~%
    • In-stock
      4-Phosphonobenzoic acid|CS-0313950
      618-21-3

    References

    • Michaelis Justus Liebigs Annalen der Chemie, 1896 , vol. 293, p. 265 Full Text Show Details Michaelis; Paneck Chemische Berichte, 1881 , vol. 14, p. 405

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

Quality Control

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Computational Chemistry Data

  • TPSA   94.83
  • LogP   0.1878
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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