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CS-W001157 4
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3-(1h-1,2,3-Benzotriazol-1-yl)propanenitrile

  • CAS No. 6946-09-4

  • Cat. No. CS-0247527
  • Purity≥98%
  • MDL No.None

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

3-(1h-1,2,3-Benzotriazol-1-yl)propanenitrile|CS-0247527

Structure of 6946-09-4

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General Information

  • CAS No. 6946-09-4
  • Cat. No. CS-0247527
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₄
  • Molecular Weight 172.19
  • Synonym(s) 1H-Benzotriazole-1-propanenitrile
  • SMILES C1=CC=C2C(=C1)N=NN2CCC#N

Synthesis

  • Route1
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      107-13-1
    • ~94%
    • 3-(1h-1,2,3-Benzotriazol-1-yl)propanenitrile|CS-0247527
      6946-09-4

    References

    • Ai, Xin; Wang, Xin; Liu, Jin-Ming; Ge, Ze-Mei; Cheng, Tie-Ming; Li, Run-Tao Tetrahedron, 2010 , vol. 66, # 29 p. 5373 - 5377

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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   54.5
  • LogP   1.34498
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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