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CS-W001157 4
Total: USD 88.00

4,5-Diamino-2-(trifluoromethyl)benzonitrile

  • CAS No. 882978-62-3

  • Cat. No. CS-0460524
  • Purity≥98%
  • MDL No.MFCD18074368

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

4,5-Diamino-2-(trifluoromethyl)benzonitrile|CS-0460524

Structure of 882978-62-3

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General Information

  • CAS No. 882978-62-3
  • Cat. No. CS-0460524
  • Purity ≥98%
  • MDL No. MFCD18074368
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃N₃
  • Molecular Weight 201.15
  • Synonym(s) 2-Cyano-4,5-diaminobenzotrifluoride, 4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine
  • SMILES C1=C(C#N)C(=CC(=C1N)N)C(F)(F)F

Synthesis

  • Route1
    • 4-Amino-5-nitro-2-(trifluoromethyl)benzonitrile|CS-0813854
      1155800-54-6
    • ~89%
    • 4,5-Diamino-2-(trifluoromethyl)benzonitrile|CS-0460524
      882978-62-3

    References

    • Li, Xun; Ng, Raymond A.; Zhang, Yongzheng; Russell, Ronald K.; Sui, Zhihua Organic Process Research and Development, 2009 , vol. 13, # 3 p. 652 - 655

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   75.83
  • LogP   1.74148
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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