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CS-W001157 4
Total: USD 88.00

2-Bromo-4-chloro-6-fluorobenzonitrile

  • CAS No. 858414-22-9

  • Cat. No. CS-0456299
  • Purity≥98%
  • MDL No.None

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

2-Bromo-4-chloro-6-fluorobenzonitrile|CS-0456299

Structure of 858414-22-9

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General Information

  • CAS No. 858414-22-9
  • Cat. No. CS-0456299
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrClFN
  • Molecular Weight 234.45
  • Synonym(s) 2-bromo-4-chloro-6-fluoro-benzonitrile
  • SMILES C1=C(C=C(C(=C1Br)C#N)F)Cl

Synthesis

  • Route1
    • null|null
      151-50-8
    • ~%
    • 2-Bromo-4-chloro-6-fluorobenzonitrile|CS-0456299
      858414-22-9

    References

    • MERCK and CO., INC. Patent: WO2005/63690 A1, 2005 ; Location in patent: Page/Page column 30 ; WO 2005/063690 A1
  • Route2
    • null|null
      1227163-36-1
    • ~55%
    • 2-Bromo-4-chloro-6-fluorobenzonitrile|CS-0456299
      858414-22-9

    References

    • ASTRAZENECA AB Patent: US2010/125082 A1, 2010 ; Location in patent: Page/Page column 34 ; US 20100125082 A1

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

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.11328
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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