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CS-W001157 4
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7-Bromo-5-fluoro-1H-benzo[d]imidazole

  • CAS No. 1245642-98-1

  • Cat. No. CS-0146718
  • Molecule weight215.02
  • Purity98+%
  • MDL No.MFCD15071663

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

7-Bromo-5-fluoro-1H-benzo[d]imidazole|CS-0146718

Structure of 1245642-98-1

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General Information

  • CAS No. 1245642-98-1
  • Cat. No. CS-0146718
  • Purity 98+%
  • MDL No. MFCD15071663
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrFN₂
  • Molecular Weight 215.02
  • Synonym(s) 4-Bromo-6-fluoro-1H-benzo[D]imidazole
  • SMILES FC1=CC(Br)=C2C(NC=N2)=C1

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; Location in patent: Page/Page column 118 ; WO 2013/026914 A1
  • Route2

    References

    • F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; WO 2013/026914 A1
  • Route3

    References

    • F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; WO 2013/026914 A1

Safety Information

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.4645
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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