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CS-W001157 4
Total: USD 88.00

1-Nitro-3-(phenylethynyl)benzene

  • CAS No. 29338-47-4

  • Cat. No. CS-0333328
  • Purity≥95%
  • MDL No.None

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

1-Nitro-3-(phenylethynyl)benzene|CS-0333328

Structure of 29338-47-4

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General Information

  • CAS No. 29338-47-4
  • Cat. No. CS-0333328
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₂
  • Molecular Weight 223.23
  • Synonym(s) 1-nitro-3-(2-phenylethynyl)benzene
  • SMILES C1=CC=C(C=C1)C#CC2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      645-00-1
    • null|null
      536-74-3
    • ~99%
    • 1-Nitro-3-(phenylethynyl)benzene|CS-0333328
      29338-47-4

    References

    • Bakherad, Mohammad; Keivanloo, Ali; Samangooei, Shahrzad Tetrahedron Letters, 2012 , vol. 53, # 43 p. 5773 - 5776
  • Route2
    • null|null
      585-79-5
    • null|null
      536-74-3
    • ~96%
    • 1-Nitro-3-(phenylethynyl)benzene|CS-0333328
      29338-47-4

    References

    • Li, Pin-Hua; Wang, Lei Advanced Synthesis and Catalysis, 2006 , vol. 348, # 6 p. 681 - 685
  • Route3

    References

    • Chow; Wan; Low; Yeung Journal of Organic Chemistry, 2001 , vol. 66, # 5 p. 1910 - 1913

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

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.9946
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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