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CS-W001157 4
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4,5-Diamino-2-fluorobenzonitrile

  • CAS No. 226701-59-3

  • Cat. No. CS-0565596
  • Molecule weight151.14
  • Purity≥98%
  • MDL No.None

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

4,5-Diamino-2-fluorobenzonitrile|CS-0565596

Structure of 226701-59-3

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General Information

  • CAS No. 226701-59-3
  • Cat. No. CS-0565596
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FN₃
  • Molecular Weight 151.14
  • Synonym(s) Benzonitrile, 4,5-diamino-2-fluoro- (9CI)
  • SMILES N#CC1=CC(N)=C(N)C=C1F

Synthesis

  • Route1

    References

    • ADAMS, Christopher Michael; BABU, Charles; CAPPARELLI, Michael Paul; DING, Jian; EHARA, Takeru; JENDZA, Keith; JI, Nan; KARKI, Rajeshri Ganesh; KAWANAMI, Toshio; LIANG, Xue; MAINOLFI, Nello; POWERS, James J.; SERRANO-WU, Michael H.; ZHANG, Chun Patent: US2013/296377 A1, 2013 ; Location in patent: Paragraph 1122 ;
  • Route2

    References

    • Axys Pharmaceuticals, Inc. Patent: US6150379 A1, 2000 ;
  • Route3

    References

    • Axys Pharmaceuticals, Inc. Patent: US6150379 A1, 2000 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H330-H410
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   75.83
  • LogP   0.86178
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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