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CS-W001157 4
Total: USD 88.00

2-(1,2,4-Triazol-1-yl)acetonitrile

  • CAS No. 81606-79-3

  • Cat. No. CS-0158527
  • Purity≥98%
  • MDL No.None

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

2-(1,2,4-Triazol-1-yl)acetonitrile|CS-0158527

Structure of 81606-79-3

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General Information

  • CAS No. 81606-79-3
  • Cat. No. CS-0158527
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₄
  • Molecular Weight 108.10
  • Synonym(s) 2-(1H-1,2,4-triazol-1-yl)acetonitrile
  • SMILES C(#N)CN1C=NC=N1

Synthesis

  • Route1
    • In-stock
      1,2,4-Triazole|CS-D1150
      288-88-0
    • null|null
      107-14-2
    • ~72%
    • In-stock
      2-(1,2,4-Triazol-1-yl)acetonitrile|CS-0158527
      81606-79-3

    References

    • Gao, Ye; Gao, Haixiang; Piekarski, Crystal; Shreeve, Jean'ne M. European Journal of Inorganic Chemistry, 2007 , # 31 p. 4965 - 4972
  • Route2
    • In-stock
      1,2,4-Triazole sodium|CS-0136347
      41253-21-8
    • null|null
      107-14-2
    • ~33%
    • In-stock
      2-(1,2,4-Triazol-1-yl)acetonitrile|CS-0158527
      81606-79-3

    References

    • Terpigorev, A. N.; Shcherbinin, M. B.; Bazanov, A. G.; Tselinskii, I. V. Journal of Organic Chemistry USSR (English Translation), 1982 , vol. 18, # 2 p. 407 Zhurnal Organicheskoi Khimii, 1982 , vol. 18, # 2 p. 463
  • Route3
    • In-stock
      1,2,4-Triazole|CS-D1150
      288-88-0
    • null|null
      590-17-0
    • ~50%
    • In-stock
      2-(1,2,4-Triazol-1-yl)acetonitrile|CS-0158527
      81606-79-3

    References

    • De la Hoz, Antonio; Blasco, Hector; Diaz-Ortiz, Angel; Elguero, Jose; Foces-Foces, Concepcion; Moreno, Andres; Sanchez-Migallon, Ana; Valiente, Gema New Journal of Chemistry, 2002 , vol. 26, # 7 p. 926 - 932

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.5
  • LogP   -0.19832
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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