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CS-W001157 4
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2-Bromo-1-(4-butylphenyl)ethan-1-one

  • CAS No. 64356-03-2

  • Cat. No. CS-0331502
  • Purity≥98%
  • MDL No.None

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

2-Bromo-1-(4-butylphenyl)ethan-1-one|CS-0331502

Structure of 64356-03-2

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General Information

  • CAS No. 64356-03-2
  • Cat. No. CS-0331502
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BrO
  • Molecular Weight 255.15
  • Synonym(s) 2-Bromo-1-(4-butylphenyl)ethanone
  • SMILES CCCCC1=CC=C(C(CBr)=O)C=C1

Synthesis

  • Route1

    References

    • Chann, N. B.; Cotrait, M.; Gautlier, J.; Haget, Y.; Tinh, Nguyen Huu; et al. Molecular Crystals and Liquid Crystals (1969-1991), 1983 , vol. 101, p. 129 - 142 Title/Abstract Full Text View citing articles Show Details Marshall, K. L.; Jacobs, S. D. Molecular Crystals and Liquid Crystals (1969-1991), 1988 , vol. 159, p. 181 - 196
  • Route2

    References

    • Worthington, Roberta J.; Bunders, Cynthia A.; Reed, Catherine S.; Melander, Christian ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 5 p. 357 - 361
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    • 2-Bromo-1-(4-butylphenyl)ethan-1-one|CS-0331502
      64356-03-2

    References

    • Marshall, K. L.; Jacobs, S. D. Molecular Crystals and Liquid Crystals (1969-1991), 1988 , vol. 159, p. 181 - 196

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P271-P280

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.6068
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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