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CS-W001157 4
Total: USD 88.00

2-(1H-Pyrazol-3-yl)acetonitrile

  • CAS No. 135237-01-3

  • Cat. No. CS-0055272
  • Molecule weight107.11
  • Purity≥97%
  • MDL No.MFCD08436151

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

2-(1H-Pyrazol-3-yl)acetonitrile|CS-0055272

Structure of 135237-01-3

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General Information

  • CAS No. 135237-01-3
  • Cat. No. CS-0055272
  • Purity ≥97%
  • MDL No. MFCD08436151
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) 3-Pyrazolylacetonitrile
  • SMILES C1=C(NN=C1)CC#N

Synthesis

  • Route1
    • 5-(Chloromethyl)-1h-pyrazole|CS-0660301
      23784-89-6
    • null|null
      151-50-8
    • ~%
    • 2-(1H-Pyrazol-3-yl)acetonitrile|CS-0055272
      135237-01-3

    References

    • Mallams, Alan K.; Madison, Vincent; Paruch, Kamil Patent: US2007/66621 A1, 2007 ; Location in patent: Page/Page column 34 ; US 20070066621 A1
  • Route2

    References

    • Jones et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 4000

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   0.47578
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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