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CS-W001157 4
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5-Bromo-3-fluoro-2-methoxybenzonitrile

  • CAS No. 1247885-38-6

  • Cat. No. CS-0585383
  • Purity≥98%
  • MDL No.None

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

5-Bromo-3-fluoro-2-methoxybenzonitrile|CS-0585383

Structure of 1247885-38-6

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General Information

  • CAS No. 1247885-38-6
  • Cat. No. CS-0585383
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrFNO
  • Molecular Weight 230.03
  • Synonym(s) None
  • SMILES COC1=C(C=C(C=C1F)Br)C#N

Synthesis

  • Route1
    • 5-Bromo-3-fluoro-2-hydroxybenzonitrile|CS-0330722
      876918-40-0
    • null|null
      74-88-4
    • ~81%
    • 5-Bromo-3-fluoro-2-methoxybenzonitrile|CS-0585383
      1247885-38-6

    References

    • SEPRACOR INC.; BURDI, Douglas; SPEAR, Kerry, L.; HARDY, Larry, Wendell Patent: WO2010/114971 A1, 2010 ; Location in patent: Page/Page column 236 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.46848
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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