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CS-W001157 4
Total: USD 88.00

2-(4-Amino-3-nitrophenyl)acetonitrile

  • CAS No. 79545-11-2

  • Cat. No. CS-0331044
  • Purity95+%
  • MDL No.None

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

2-(4-Amino-3-nitrophenyl)acetonitrile|CS-0331044

Structure of 79545-11-2

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General Information

  • CAS No. 79545-11-2
  • Cat. No. CS-0331044
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃O₂
  • Molecular Weight 177.16
  • Synonym(s) Benzeneacetonitrile,4-amino-3-nitro
  • SMILES C1=CC(=C(C=C1CC#N)[N+](=O)[O-])N

Synthesis

  • Route1

    References

    • Gabriel Chemische Berichte, 1882 , vol. 15, p. 838 Chemische Berichte, 1882 , vol. 15, p. 3060
  • Route2
    • N-(4-(cyanomethyl)-2-nitrophenyl)acetamide|CS-0321150
      123270-23-5
    • ~%
    • 2-(4-Amino-3-nitrophenyl)acetonitrile|CS-0331044
      79545-11-2

    References

    • Gabriel Chemische Berichte, 1882 , vol. 15, p. 838 Chemische Berichte, 1882 , vol. 15, p. 3060
  • Route3

    References

    • Gabriel Chemische Berichte, 1882 , vol. 15, p. 838 Chemische Berichte, 1882 , vol. 15, p. 3060

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   92.95
  • LogP   1.24308
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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