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CS-W001157 4
Total: USD 88.00

1-(4-Bromophenyl)heptan-1-one

  • CAS No. 99474-02-9

  • Cat. No. CS-0321589
  • Purity≥97%
  • MDL No.MFCD00276567

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

1-(4-Bromophenyl)heptan-1-one|CS-0321589

Structure of 99474-02-9

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General Information

  • CAS No. 99474-02-9
  • Cat. No. CS-0321589
  • Purity ≥97%
  • MDL No. MFCD00276567
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇BrO
  • Molecular Weight 269.18
  • Synonym(s) 4-bromophenyl n-hexyl ketone
  • SMILES CCCCCCC(=O)C1=CC=C(C=C1)Br

Synthesis

  • Route1
    • null|null
      3761-92-0
    • null|null
      586-75-4
    • ~83%
    • In-stock
      1-(4-Bromophenyl)heptan-1-one|CS-0321589
      99474-02-9

    References

    • Scheiper, Bodo; Bonnekessel, Melanie; Krause, Helga; Fuerstner, Alois Journal of Organic Chemistry, 2004 , vol. 69, # 11 p. 3943 - 3949
  • Route2
    • null|null
      108-86-1
    • Heptanoyl chloride|CS-0185661
      2528-61-2
    • ~99%
    • In-stock
      1-(4-Bromophenyl)heptan-1-one|CS-0321589
      99474-02-9

    References

    • Gray, George W.; Hird, Michael; Lacey, David; Toyne, Kenneth J. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989 , p. 2041 - 2054
  • Route3
    • null|null
      108-86-1
    • Heptanoyl chloride|CS-0185661
      2528-61-2
    • ~%
    • In-stock
      1-Phenylheptan-1-one|CS-W015877
      1671-75-6
    • In-stock
      1-(4-Bromophenyl)heptan-1-one|CS-0321589
      99474-02-9

    References

    • Journal of Organic Chemistry, , vol. 13, p. 303,305, 306

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   4.6022
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   6

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