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3,5-Bis(hydroxymethyl)benzonitrile

  • CAS No. 146335-23-1

  • Cat. No. CS-0583221
  • Molecule weight163.17
  • Purity≥98%
  • MDL No.None

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

3,5-Bis(hydroxymethyl)benzonitrile|CS-0583221

Structure of 146335-23-1

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General Information

  • CAS No. 146335-23-1
  • Cat. No. CS-0583221
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 5-CYANO-1,3-DIHYDROXYMETHYLBENZENE
  • SMILES C1=C(C=C(C=C1CO)C#N)CO

Synthesis

  • Route1

    References

    • Behrens, Carsten; Dahl, Otto Nucleosides and Nucleotides, 1999 , vol. 18, # 2 p. 291 - 305
  • Route2
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      10560-13-1
    • ~%
    • 3,5-Bis(hydroxymethyl)benzonitrile|CS-0583221
      146335-23-1

    References

    • Li Li; Dietrich; Hansch Journal of Medicinal Chemistry, 1981 , vol. 24, # 5 p. 535 - 544
  • Route3

    References

    • Behrens, Carsten; Dahl, Otto Nucleosides and Nucleotides, 1999 , vol. 18, # 2 p. 291 - 305

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   0.54288
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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