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CS-W001157 4
Total: USD 88.00

2-Ethynyl-4-nitroaniline

  • CAS No. 125600-42-2

  • Cat. No. CS-0443311
  • Purity≥98%
  • MDL No.None

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

2-Ethynyl-4-nitroaniline|CS-0443311

Structure of 125600-42-2

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General Information

  • CAS No. 125600-42-2
  • Cat. No. CS-0443311
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) Benzenamine,2-ethynyl-4-nitro
  • SMILES C#CC1=CC(=CC=C1N)[N+](=O)[O-]

Synthesis

  • Route1
    • 4-Nitro-2-((trimethylsilyl)ethynyl)aniline|CS-1692489
      503534-46-1
    • ~89%
    • 2-Ethynyl-4-nitroaniline|CS-0443311
      125600-42-2

    References

    • Sakai, Norio; Annaka, Kimiyoshi; Konakahara, Takeo Journal of Organic Chemistry, 2006 , vol. 71, # 9 p. 3653 - 3655
  • Route2

    References

    • Sakai, Norio; Tamura, Kosuke; Shimamura, Kazuyori; Ikeda, Reiko; Konakahara, Takeo Organic Letters, 2012 , vol. 14, # 3 p. 836 - 839
  • Route3
    • null|null
      183989-84-6
    • ~%
    • 2-Ethynyl-4-nitroaniline|CS-0443311
      125600-42-2

    References

    • Lee, Jae Hak; Lee, Byoung Se; Shin, Hyunik; Nam, Do Hyun; Chi, Dae Yoon Synlett, 2006 , # 1 art. no. U27905ST, p. 65 - 68

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   69.16
  • LogP   1.1583
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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