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CS-W001157 4
Total: USD 88.00

2-Chloro-1-(4-isobutylphenyl)propan-1-one

  • CAS No. 80336-66-9

  • Cat. No. CS-0365180
  • Molecule weight224.73
  • Purity≥98%
  • MDL No.None

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

2-Chloro-1-(4-isobutylphenyl)propan-1-one|CS-0365180

Structure of 80336-66-9

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General Information

  • CAS No. 80336-66-9
  • Cat. No. CS-0365180
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇ClO
  • Molecular Weight 224.73
  • Synonym(s) Ibuprofen Impurity Z
  • SMILES CC(Cl)C(C1=CC=C(CC(C)C)C=C1)=O

Synthesis

  • Route1

    References

    • Giordano, Claudio; Castaldi, Graziano; Casagrande, Francesco; Belli, Aldo Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , # 11 p. 2575 - 2582
  • Route2
    • null|null
      7623-09-8
    • null|null
      538-93-2
    • ~83%
    • 2-Chloro-1-(4-isobutylphenyl)propan-1-one|CS-0365180
      80336-66-9

    References

    • Sonawane, Harikisan; Bellur, Nanjundiah S.; Kulkarni, Dilip G.; Ayyangar, Nagaraj R. Tetrahedron, 1994 , vol. 50, # 4 p. 1243 - 1260

Safety Information

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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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.6951
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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