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CS-W001157 4
Total: USD 88.00

4-(2-Bromophenyl)butan-2-one

  • CAS No. 3506-68-1

  • Cat. No. CS-0275956
  • Molecule weight227.10
  • Purity≥98%
  • MDL No.None

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

4-(2-Bromophenyl)butan-2-one|CS-0275956

Structure of 3506-68-1

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General Information

  • CAS No. 3506-68-1
  • Cat. No. CS-0275956
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO
  • Molecular Weight 227.10
  • Synonym(s) 4-(o-Bromphenyl)-butan-2-on
  • SMILES CC(CCC1=CC=CC=C1Br)=O

Synthesis

  • Route1

    References

    • Burstein, Christian; Tschan, Serena; Xie, Xiulan; Glorius, Frank Synthesis, 2006 , # 14 p. 2418 - 2439
  • Route2
    • null|null
      72454-54-7
    • ~%
    • 4-(2-Bromophenyl)butan-2-one|CS-0275956
      3506-68-1

    References

    • Xing, Ping; Huang, Zuo-Gang; Jin, Yun; Jiang, Biao Tetrahedron Letters, 2013 , vol. 54, # 7 p. 699 - 702
  • Route3
    • null|null
      107408-19-5
    • ~74%
    • 4-(2-Bromophenyl)butan-2-one|CS-0275956
      3506-68-1

    References

    • Cooke, Manning P.; Widener, Rexford K. Journal of Organic Chemistry, 1987 , vol. 52, # 8 p. 1382 - 1396

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   17.07
  • LogP   2.9707
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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