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CS-W001157 4
Total: USD 88.00

4-Bromo-2-fluoro-α,α-dimethylbenzeneacetonitrile

  • CAS No. 749928-77-6

  • Cat. No. CS-0212252
  • Molecule weight242.09
  • Purity≥96%
  • MDL No.MFCD11846958

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

4-Bromo-2-fluoro-α,α-dimethylbenzeneacetonitrile|CS-0212252

Structure of 749928-77-6

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General Information

  • CAS No. 749928-77-6
  • Cat. No. CS-0212252
  • Purity ≥96%
  • MDL No. MFCD11846958
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrFN
  • Molecular Weight 242.09
  • Synonym(s) 2-(4-bromo-2-fluorophenyl)-2-methylpropanenitrile
  • SMILES CC(C)(C#N)C1=C(C=C(C=C1)Br)F

Synthesis

  • Route1

    References

    • PFIZER INC. Patent: WO2006/18725 A1, 2006 ; Location in patent: Page/Page column 172 ; WO 2006/018725 A1
  • Route2

    References

    • Camp, David; Matthews, Chris F.; Neville, Sean T.; Rouns, Michael; Scott, Robert W.; Truong, Yen Organic Process Research and Development, 2006 , vol. 10, # 4 p. 814 - 821
  • Route3

    References

    • Camp, David; Matthews, Chris F.; Neville, Sean T.; Rouns, Michael; Scott, Robert W.; Truong, Yen Organic Process Research and Development, 2006 , vol. 10, # 4 p. 814 - 821

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.38938
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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