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CS-W001157 4
Total: USD 88.00

Ethyl 3-(3-chlorophenyl)prop-2-ynoate

  • CAS No. 58686-68-3

  • Cat. No. CS-0233528
  • Purity≥97%
  • MDL No.None

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

Ethyl 3-(3-chlorophenyl)prop-2-ynoate|CS-0233528

Structure of 58686-68-3

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General Information

  • CAS No. 58686-68-3
  • Cat. No. CS-0233528
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉ClO₂
  • Molecular Weight 208.64
  • Synonym(s) 2-Propynoic acid, 3-(3-chlorophenyl)-, ethyl ester
  • SMILES CCOC(=O)C#CC1=CC(=CC=C1)Cl

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      3-(3-Chlorophenyl)prop-2-ynoic acid|CS-0122131
      7396-28-3
    • ~%
    • In-stock
      Ethyl 3-(3-chlorophenyl)prop-2-ynoate|CS-0233528
      58686-68-3

    References

    • Newman; Merrill Journal of the American Chemical Society, 1955 , vol. 77, p. 5549
  • Route2
    • In-stock
      3-Chlorophenylacetylene|CS-W004103
      766-83-6
    • null|null
      541-41-3
    • ~%
    • In-stock
      Ethyl 3-(3-chlorophenyl)prop-2-ynoate|CS-0233528
      58686-68-3

    References

    • Durham, Robin; Mandel, Jeremie; Blanchard, Nicolas; Tam, William Canadian Journal of Chemistry, 2011 , vol. 89, # 12 p. 1494 - 1505

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2546
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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