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CS-W001157 4
Total: USD 88.00

2-Aminomalononitrile 4-methylbenzenesulfonate

  • CAS No. 5098-14-6

  • Cat. No. CS-W008782
  • Purity≥97%
  • MDL No.MFCD00012848

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

2-Aminomalononitrile 4-methylbenzenesulfonate|CS-W008782

Structure of 5098-14-6

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General Information

  • CAS No. 5098-14-6
  • Cat. No. CS-W008782
  • Purity ≥97%
  • MDL No. MFCD00012848
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N₃O₃S
  • Molecular Weight 253.28
  • Synonym(s) Dicyanomethylammonium p-Toluenesulfonate
  • SMILES NC(C#N)C#N.CC1=CC=C(S(=O)(O)=O)C=C1

Description

Aminomalononitrile p-toluenesulfonate was used in the syntheiss of 1-substituted 5-amino-4-cyano-2-hydroxyimidazoles.

Synthesis

  • Route1
    • null|null
      36568-05-5
    • null|null
      109-77-3
    • ~%
    • In-stock
      2-Aminomalononitrile 4-methylbenzenesulfonate|CS-W008782
      5098-14-6

    References

    • Lonza Ltd. Patent: US4827015 A1, 1989 ;
  • Route2
    • null|null
      109-77-3
    • ~%
    • In-stock
      2-Aminomalononitrile 4-methylbenzenesulfonate|CS-W008782
      5098-14-6

    References

    • Colvin, Ernest W.; Kirby, Gordon W.; Wilson, Arthur C. Tetrahedron Letters, 1982 , vol. 23, # 37 p. 3835 - 3836

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
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   127.97
  • LogP   0.60258
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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