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CS-W001157 4
Total: USD 88.00

4-(4-Bromophenyl)but-3-yn-2-one

  • CAS No. 81532-79-8

  • Cat. No. CS-0530314
  • Molecule weight223.07
  • Purity≥98%
  • MDL No.None

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

4-(4-Bromophenyl)but-3-yn-2-one|CS-0530314

Structure of 81532-79-8

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General Information

  • CAS No. 81532-79-8
  • Cat. No. CS-0530314
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇BrO
  • Molecular Weight 223.07
  • Synonym(s) 3-Butyn-2-one, 4-(4-bromophenyl)-
  • SMILES CC(C#CC1=CC=C(Br)C=C1)=O

Synthesis

  • Route1

    References

    • Schubert, Thomas; Hummel, Werner; Kula, Maria-Regina; Mueller, Michael European Journal of Organic Chemistry, 2001 , # 22 p. 4181 - 4187
  • Route2
    • 4-(4-Bromophenyl)but-3-yn-2-ol|CS-0530805
      129725-59-3
    • ~92%
    • 4-(4-Bromophenyl)but-3-yn-2-one|CS-0530314
      81532-79-8

    References

    • Liu, Jinxian; Xie, Xi; Ma, Shengming Synthesis, 2012 , vol. 44, # 10 p. 1569 - 1576
  • Route3
    • null|null
      118520-70-0
    • null|null
      75-36-5
    • ~%
    • 4-(4-Bromophenyl)but-3-yn-2-one|CS-0530314
      81532-79-8

    References

    • Qian; Shao; Huang Synlett, 2001 , # 10 p. 1571 - 1572

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   2.3896
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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