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CS-W001157 4
Total: USD 88.00

1-(Prop-2-yn-1-yl)-1H-benzo[d]imidazole

  • CAS No. 42076-28-8

  • Cat. No. CS-0094829
  • Purity≥97%
  • MDL No.None

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

1-(Prop-2-yn-1-yl)-1H-benzo[d]imidazole|CS-0094829

Structure of 42076-28-8

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General Information

  • CAS No. 42076-28-8
  • Cat. No. CS-0094829
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂
  • Molecular Weight 156.18
  • Synonym(s) 1-Prop-2-ynyl-1H-benzoimidazole
  • SMILES C#CCN1C2=CC=CC=C2N=C1

Synthesis

  • Route1

    References

    • N.V. ORGANON Patent: WO2007/54474 A1, 2007 ; Location in patent: Page/Page column 8 ; WO 2007/054474 A1
  • Route2

    References

    • Broggini, Gianluigi; Bruche, Luca; Zecchi, Gaetano; Pilati, Tullio Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , p. 533 - 539
  • Route3
    • null|null
      1061263-03-3
    • ~47%
    • null|null
      1061263-10-2
    • 1-(Prop-2-yn-1-yl)-1H-benzo[d]imidazole|CS-0094829
      42076-28-8

    References

    • Bognar, Balazs; Kalai, Tamas; Hideg, Kalman Synthesis, 2008 , # 15 art. no. P04808SS, p. 2439 - 2445

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

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.6695
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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