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3-Phosphonobenzoic acid

  • CAS No. 14899-31-1

  • Cat. No. CS-0359930
  • Purity≥98%
  • MDL No.None

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

3-Phosphonobenzoic acid|CS-0359930

Structure of 14899-31-1

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General Information

  • CAS No. 14899-31-1
  • Cat. No. CS-0359930
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇O₅P
  • Molecular Weight 202.10
  • Synonym(s) 3-Carboxyphenylphosphonic Acid
  • SMILES OP(C1=CC=CC(C(O)=O)=C1)(O)=O

Synthesis

  • Route1

    References

    • Jaffe et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 2209
  • Route2
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      77918-48-0
    • ~%
    • 3-Phosphonobenzoic acid|CS-0359930
      14899-31-1

    References

    • Michaelis Justus Liebigs Annalen der Chemie, 1896 , vol. 293, p. 292
  • Route3
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      107658-35-5
    • ~%
    • 3-Phosphonobenzoic acid|CS-0359930
      14899-31-1

    References

    • Nagarajan, K.; Shelly, Kevin P.; Perkins, R. R.; Stewart, Ross Canadian Journal of Chemistry, 1987 , vol. 65, p. 1729 - 1733

Safety Information

Download SDS
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

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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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