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CS-W001157 4
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5-Aminobenzene-1,3-dicarbonitrile

  • CAS No. 57369-97-8

  • Cat. No. CS-0244875
  • Purity95+%
  • MDL No.None

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

5-Aminobenzene-1,3-dicarbonitrile|CS-0244875

Structure of 57369-97-8

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General Information

  • CAS No. 57369-97-8
  • Cat. No. CS-0244875
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃
  • Molecular Weight 143.15
  • Synonym(s) 5-Aminoisophthalonitrile
  • SMILES C1=C(C=C(C=C1C#N)N)C#N

Synthesis

  • Route1
    • 5-Nitroisophthalonitrile|CS-1669738
      33224-18-9
    • ~%
    • 5-Aminobenzene-1,3-dicarbonitrile|CS-0244875
      57369-97-8

    References

    • Barber; Slack Journal of the Chemical Society, 1947 , p. 82 Full Text Show Details Senear et al. Journal of Organic Chemistry, 1946 , vol. 11, p. 378,381
  • Route2

    References

    • Kolek, Przemyslaw; Pirowska, Katarzyna; Chacaga, Lukasz; Najbar, Jan Physical Chemistry Chemical Physics, 2003 , vol. 5, # 19 p. 4096 - 4107
  • Route3
    • null|null
      38177-07-0
    • ~%
    • 5-Aminobenzene-1,3-dicarbonitrile|CS-0244875
      57369-97-8

    References

    • Oshima, Juro; Yoshihara, Toshitada; Tobita, Seiji Chemical Physics Letters, 2006 , vol. 423, # 4-6 p. 306 - 311

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   73.6
  • LogP   1.01216
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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