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CS-W001157 4
Total: USD 88.00

1-(4-Nitrophenyl)prop-2-yn-1-one

  • CAS No. 37176-75-3

  • Cat. No. CS-0527608
  • Purity≥98%
  • MDL No.None

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

1-(4-Nitrophenyl)prop-2-yn-1-one|CS-0527608

Structure of 37176-75-3

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General Information

  • CAS No. 37176-75-3
  • Cat. No. CS-0527608
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅NO₃
  • Molecular Weight 175.14
  • Synonym(s) 1-(4'-Nitrophenyl)prop-2-yn-1-one
  • SMILES C#CC(C1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1
    • 1-(4-Nitrophenyl)prop-2-yn-1-ol|CS-0466442
      78725-73-2
    • ~51%
    • 1-(4-Nitrophenyl)prop-2-yn-1-one|CS-0527608
      37176-75-3

    References

    • Weerasiri, Kushan C.; Gorden, Anne E. V. European Journal of Organic Chemistry, 2013 , # 8 p. 1546 - 1550
  • Route2

    References

    • Scansetti, Myriam; Hu, Xiangping; McDermott, Benjamin P.; Lam, Hon Wai Organic Letters, 2007 , vol. 9, # 11 p. 2159 - 2162
  • Route3
    • null|null
      757248-86-5
    • ~%
    • 1-(4-Nitrophenyl)prop-2-yn-1-one|CS-0527608
      37176-75-3

    References

    • Bertha, Ferenc; Giang, Le Thanh; Fetter, Jozsef; Kajtar-Peredy, Maria; Lempert, Karoly; Czira, Gabor Journal of Chemical Research, Miniprint, 2003 , # 12 p. 1224 - 1248

Safety Information

Download SDS
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   60.21
  • LogP   1.4107
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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