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CS-W001157 4
Total: USD 88.00

2,2'-(Buta-1,3-diyne-1,4-diyl)dianiline

  • CAS No. 31661-58-2

  • Cat. No. CS-0379108
  • Purity≥98%
  • MDL No.None

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

2,2'-(Buta-1,3-diyne-1,4-diyl)dianiline|CS-0379108

Structure of 31661-58-2

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General Information

  • CAS No. 31661-58-2
  • Cat. No. CS-0379108
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂N₂
  • Molecular Weight 232.28
  • Synonym(s) 2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline
  • SMILES NC1=C(C=CC=C1)C#CC#CC2=C(N)C=CC=C2

Synthesis

  • Route1

    References

    • Alonso, Francisco; Melkonian, Taki; Moglie, Yanina; Yus, Miguel European Journal of Organic Chemistry, 2011 , # 13 p. 2524 - 2530
  • Route2

    References

    • Hassan; Spies; Bredenkamp Polish Journal of Chemistry, 2000 , vol. 74, # 11 p. 1589 - 1598
  • Route3

    References

    • Koradin, Christopher; Dohle, Wolfgang; Rodriguez, Alain L.; Schmid, Bertram; Knochel, Paul Tetrahedron, 2003 , vol. 59, # 9 p. 1571 - 1587

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   2.2542
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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