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CS-W001157 4
Total: USD 88.00

4-(1,2,3-Thiadiazol-4-yl)benzonitrile

  • CAS No. 82894-99-3

  • Cat. No. CS-0268159
  • Molecule weight187.22
  • Purity≥97%
  • MDL No.None

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

4-(1,2,3-Thiadiazol-4-yl)benzonitrile|CS-0268159

Structure of 82894-99-3

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General Information

  • CAS No. 82894-99-3
  • Cat. No. CS-0268159
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅N₃S
  • Molecular Weight 187.22
  • Synonym(s) 4-(4-CYANOPHENYL)-1,2,3-THIADIAZOLE
  • SMILES C1=C(C=CC(=C1)C2=CSN=N2)C#N

Synthesis

  • Route1
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • ~91%
    • 4-(1,2,3-Thiadiazol-4-yl)benzonitrile|CS-0268159
      82894-99-3

    References

    • Lardies, Nora; Romeo, Inocencio; Cerrada, Elena; Laguna, Mariano; Skabara, Peter J. Dalton Transactions, 2007 , # 45 p. 5329 - 5338
  • Route2
    • null|null
      71864-73-8
    • ~%
    • 4-(1,2,3-Thiadiazol-4-yl)benzonitrile|CS-0268159
      82894-99-3

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1223 - 1228

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318-H412
Precautionary Statements : P264-P270-P273-P280-P305+P351+P338-P330-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   2.07678
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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