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CS-W001157 4
Total: USD 88.00

Dimethyl (4-hydroxybenzyl)phosphonate

  • CAS No. 68997-88-6

  • Cat. No. CS-0524536
  • Purity≥98%
  • MDL No.None

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

Dimethyl (4-hydroxybenzyl)phosphonate|CS-0524536

Structure of 68997-88-6

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General Information

  • CAS No. 68997-88-6
  • Cat. No. CS-0524536
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃O₄P
  • Molecular Weight 216.17
  • Synonym(s) Dimethyl 4-Hydroxybenzylphosphonate
  • SMILES OC1=CC=C(CP(OC)(OC)=O)C=C1

Synthesis

  • Route1
    • null|null
      852060-71-0
    • ~50%
    • Dimethyl (4-hydroxybenzyl)phosphonate|CS-0524536
      68997-88-6

    References

    • CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE M; RHODIA UK LIMITED Patent: US2009/142316 A1, 2009 ; Location in patent: Page/Page column 87 ;
  • Route2
    • 4-Hydroxybenzyl alcohol Bisoprolol Alcohol Impurity|CS-0229718
      623-05-2
    • null|null
      121-45-9
    • ~%
    • Dimethyl (4-hydroxybenzyl)phosphonate|CS-0524536
      68997-88-6

    References

    • Boehmer, Volker; Vogt, Walter; Chafaa, Salah; Meullemeestre, Jean; Schwing, Marie-Jose; Vierling, Francois Helvetica Chimica Acta, 1993 , vol. 76, # 1 p. 139 - 149
  • Route3
    • null|null
      27079-92-1
    • null|null
      121-45-9
    • ~%
    • Dimethyl (4-hydroxybenzyl)phosphonate|CS-0524536
      68997-88-6

    References

    • Boehmer, Volker; Vogt, Walter; Chafaa, Salah; Meullemeestre, Jean; Schwing, Marie-Jose; Vierling, Francois Helvetica Chimica Acta, 1993 , vol. 76, # 1 p. 139 - 149

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

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.3781
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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