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CS-W001157 4
Total: USD 88.00

1H-Benzotriazole-1-acetonitrile

  • CAS No. 111198-08-4

  • Cat. No. CS-0204238
  • Purity≥97%
  • MDL No.MFCD00082568

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

1H-Benzotriazole-1-acetonitrile|CS-0204238

Structure of 111198-08-4

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General Information

  • CAS No. 111198-08-4
  • Cat. No. CS-0204238
  • Purity ≥97%
  • MDL No. MFCD00082568
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₄
  • Molecular Weight 158.16
  • Synonym(s) None
  • SMILES N#CCN1N=NC=2C=CC=CC21

Synthesis

  • Route1
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      107-14-2
    • ~73%
    • In-stock
      1H-Benzotriazole-1-acetonitrile|CS-0204238
      111198-08-4
    • 2-(2H-benzo[d][1,2,3]triazol-2-yl)acetonitrile|CS-0335115
      118521-81-6

    References

    • Farmaco, , vol. 59, # 8 p. 637 - 644
  • Route2
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      590-17-0
    • ~80%
    • In-stock
      1H-Benzotriazole-1-acetonitrile|CS-0204238
      111198-08-4

    References

    • Zeitschrift fur Anorganische und Allgemeine Chemie, , vol. 639, # 12-13 p. 2317 - 2323
  • Route3
    • 1H-Benzo[d][1,2,3]triazole, sodium salt|CS-1045935
      15217-42-2
    • null|null
      107-14-2
    • ~72%
    • In-stock
      1H-Benzotriazole-1-acetonitrile|CS-0204238
      111198-08-4

    References

    • Journal of Organic Chemistry, , vol. 62, # 18 p. 6210 - 6214

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+H312+H332-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   54.5
  • LogP   0.95488
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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