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

  • CAS No. 80336-64-7

  • Cat. No. CS-0317157
  • Molecule weight269.18
  • Purity≥97%
  • MDL No.None

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

2-Bromo-1-(4-isobutylphenyl)propan-1-one|CS-0317157

Structure of 80336-64-7

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General Information

  • CAS No. 80336-64-7
  • Cat. No. CS-0317157
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇BrO
  • Molecular Weight 269.18
  • Synonym(s) 2-Bromo-4'-(2-methylprop-1-yl)propiophenone
  • SMILES CC(C)CC1=CC=C(C=C1)C(=O)C(C)Br

Synthesis

  • Route1

    References

    • Duh, Tsai-Hui; Wang, Yi-Fong; Wu, Ming-Jung Journal of the Chinese Chemical Society (Taipei, Taiwan), 1995 , vol. 42, # 3 p. 579 - 584
  • Route2

    References

    • Syntex Pharmaceuticals International Limited Patent: US4542237 A1, 1985 ;
  • Route3
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    • 2-Bromo-1-(4-isobutylphenyl)propan-1-one|CS-0317157
      80336-64-7

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.8512
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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