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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 31661-59-3

  • Cat. No. CS-0110798
  • Purity≥97%
  • MDL No.MFCD06200769

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

3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline|CS-0110798

Structure of 31661-59-3

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General Information

  • CAS No. 31661-59-3
  • Cat. No. CS-0110798
  • Purity ≥97%
  • MDL No. MFCD06200769
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂N₂
  • Molecular Weight 232.28
  • Synonym(s) Benzenamine,3,3'-(1,3-butadiyne-1,4-diyl)bis-
  • SMILES NC1=CC=CC(C#CC#CC2=CC(N)=CC=C2)=C1

Synthesis

  • Route1
    • 3-Ethynylaniline Erlotinib Impurity|CS-0204125
      54060-30-9
    • ~99%
    • In-stock
      3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline|CS-0110798
      31661-59-3

    References

    • Yin, Lunxiang; Liebscher, Juergen Synthesis, 2005 , # 1 art. no. T08204SS, p. 131 - 135
  • Route2
    • In-stock
      4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol|CS-0213047
      69088-96-6
    • ~8%
    • 3-Ethynylaniline Erlotinib Impurity|CS-0204125
      54060-30-9
    • In-stock
      3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline|CS-0110798
      31661-59-3

    References

    • FUJIFILM CORPORATION Patent: US2008/287705 A1, 2008 ; Location in patent: Page/Page column 6 ;
  • Route3
    • In-stock
      3-Iodoaniline|CS-W007373
      626-01-7
    • null|null
      1066-54-2
    • ~89%
    • In-stock
      3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline|CS-0110798
      31661-59-3

    References

    • Merkul, Eugen; Urselmann, Dominik; Mueller, Thomas J. J. European Journal of Organic Chemistry, 2011 , # 2 p. 238 - 242

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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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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