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CS-W001157 4
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1-Butyl-3-fluorobenzene

  • CAS No. 20651-66-5

  • Cat. No. CS-0526548
  • Molecule weight152.21
  • Purity≥98%
  • MDL No.MFCD22482823

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

1-Butyl-3-fluorobenzene|CS-0526548

Structure of 20651-66-5

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General Information

  • CAS No. 20651-66-5
  • Cat. No. CS-0526548
  • Purity ≥98%
  • MDL No. MFCD22482823
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃F
  • Molecular Weight 152.21
  • Synonym(s) 1-butyl-3-fluoro-benzene
  • SMILES FC1=CC(CCCC)=CC=C1

Synthesis

  • Route1

    References

    • IDEMITSU KOSAN CO., LTD. Patent: US2012/273770 A1, 2012 ; Location in patent: Page/Page column 27 ;
  • Route2

    References

    • Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L. Journal of the American Chemical Society, 2014 , vol. 136, # 10 p. 3792 - 3795
  • Route3
    • null|null
      1215100-19-8
    • ~19%
    • 1-Butyl-3-fluorobenzene|CS-0526548
      20651-66-5
    • 1-Butyl-4-fluorobenzene|CS-1014097
      20651-65-4

    References

    • Maimone, Thomas J.; Milner, Phillip J.; Kinzel, Tom; Zhang, Yong; Takase, Michael K.; Buchwald, Stephen L. Journal of the American Chemical Society, 2011 , vol. 133, # 45 p. 18106 - 18109

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-H320-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   0
  • LogP   3.1683
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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