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CS-W001157 4
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1-Phenylbut-2-yn-1-one

  • CAS No. 6710-62-9

  • Cat. No. CS-0551706
  • Molecule weight144.17
  • Purity≥98%
  • MDL No.None

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

1-Phenylbut-2-yn-1-one|CS-0551706

Structure of 6710-62-9

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General Information

  • CAS No. 6710-62-9
  • Cat. No. CS-0551706
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O
  • Molecular Weight 144.17
  • Synonym(s) 2-butynophenone
  • SMILES CC#CC(=O)C1=CC=CC=C1

Synthesis

  • Route1
    • 1-Phenylbut-2-yn-1-ol|CS-0759346
      32398-66-6
    • ~%
    • 1-Phenylbut-2-yn-1-one|CS-0551706
      6710-62-9

    References

    • Bharucha Journal of the Chemical Society, 1956 , p. 2446
  • Route2

    References

    • Verkruijsse, H. D.; Heus-Kloos, Y. A.; Brandsma, I. Journal of Organometallic Chemistry, 1988 , vol. 338, p. 289 - 294
  • Route3
    • null|null
      6224-91-5
    • null|null
      98-88-4
    • ~45%
    • 1-Phenylbut-2-yn-1-one|CS-0551706
      6710-62-9

    References

    • Gandeepan, Parthasarathy; Parthasarathy, Kanniyappan; Su, Tsu-Hui; Cheng, Chien-Hong Advanced Synthesis and Catalysis, 2012 , vol. 354, # 2-3 p. 457 - 468

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.8926
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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