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CS-W001157 4
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3-(4-Hydroxyphenyl)-3-oxopropanenitrile

  • CAS No. 70591-87-6

  • Cat. No. CS-0313434
  • Molecule weight161.16
  • Purity≥97%
  • MDL No.MFCD07786224

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

3-(4-Hydroxyphenyl)-3-oxopropanenitrile|CS-0313434

Structure of 70591-87-6

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General Information

  • CAS No. 70591-87-6
  • Cat. No. CS-0313434
  • Purity ≥97%
  • MDL No. MFCD07786224
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 4-Hydroxy-b-oxo-benzenepropanenitrile
  • SMILES C1=C(C=CC(=C1)O)C(=O)CC#N

Synthesis

  • Route1
    • null|null
      143-33-9
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~%
    • 3-(4-Hydroxyphenyl)-3-oxopropanenitrile|CS-0313434
      70591-87-6

    References

    • Ridge; Hanifin; Harten; Johnson; Menschik; Nicolau; Sloboda; Watts Journal of Medicinal Chemistry, 1979 , vol. 22, # 11 p. 1385 - 1389

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.48858
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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