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CS-W001157 4
Total: USD 88.00

5-Chloro-1h-1,2,3-triazole-4-carbonitrile

  • CAS No. 88474-32-2

  • Cat. No. CS-0242446
  • Molecule weight128.52
  • Purity≥97%
  • MDL No.None

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

5-Chloro-1h-1,2,3-triazole-4-carbonitrile|CS-0242446

Structure of 88474-32-2

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General Information

  • CAS No. 88474-32-2
  • Cat. No. CS-0242446
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃HClN₄
  • Molecular Weight 128.52
  • Synonym(s) 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)
  • SMILES C(#N)C1=C(Cl)NN=N1

Synthesis

  • Route1

    References

    • Nemeryuk, M. P.; Sedov, A. L.; Krepelka, I.; Benes, Ya.; Safonova, T. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , p. 1113 - 1115 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 10 p. 1398 - 1400
  • Route2

    References

    • Nemeryuk, M. P.; Sedov, A. L.; Krepelka, I.; Benes, Ya.; Safonova, T. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , p. 1113 - 1115 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 10 p. 1398 - 1400
  • Route3

    References

    • Nemeryuk, M. P.; Sedov, A. L.; Ryabokon, N. A.; Ershova, Yu. A.; Sokolova, A. S.; et al. Pharmaceutical Chemistry Journal, 1990 , vol. 24, # 6 p. 406 - 410 Khimiko-Farmatsevticheskii Zhurnal, 1990 , vol. 24, # 6 p. 23 - 25

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   65.36
  • LogP   0.32978
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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