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CS-W001157 4
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4'-Bromo-4-chlorobutyrophenone

  • CAS No. 4559-96-0

  • Cat. No. CS-0204753
  • Purity≥96%
  • MDL No.MFCD00001006

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

4'-Bromo-4-chlorobutyrophenone|CS-0204753

Structure of 4559-96-0

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General Information

  • CAS No. 4559-96-0
  • Cat. No. CS-0204753
  • Purity ≥96%
  • MDL No. MFCD00001006
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrClO
  • Molecular Weight 261.54
  • Synonym(s) 4?Bromo-4-chlorobutyrophenone
  • SMILES O=C(C1=CC=C(Br)C=C1)CCCCl

Description

4'-Bromo-4-chlorobutyrophenone features a conjugated ketone linked to a brominated and chlorinated aromatic ring, enabling direct functionalization in cross-coupling reactions. The electron-withdrawing halogens enhance reactivity while maintaining stability under standard conditions, facilitating efficient incorporation into complex molecular architectures.

Synthesis

  • Route1
    • null|null
      108-86-1
    • In-stock
      4-Chlorobutyryl chloride|CS-0018490
      4635-59-0
    • ~24%
    • In-stock
      4'-Bromo-4-chlorobutyrophenone|CS-0204753
      4559-96-0

    References

    • Schliemann; Buege; Reppel Pharmazie, 1980 , vol. 35, # 3 p. 140 - 143

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.6508
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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