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CS-W001157 4
Total: USD 88.00

4-Iodobenzotrifluoride

  • CAS No. 455-13-0

  • Cat. No. CS-W004060
  • Purity≥98%
  • MDL No.MFCD00039398

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

4-Iodobenzotrifluoride|CS-W004060

Structure of 455-13-0

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General Information

  • CAS No. 455-13-0
  • Cat. No. CS-W004060
  • Purity ≥98%
  • MDL No. MFCD00039398
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃I
  • Molecular Weight 272.01
  • Synonym(s) α,α,α-trifluoro-4-iodotoluene
  • SMILES FC(c1ccc(cc1)I)(F)F

Description

4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid.

Synthesis

  • Route1

    References

    • Garden, Jennifer A.; Armstrong, David R.; Clegg, William; Garcia-Alvarez, Joaquin; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.; Russo, Luca Organometallics, 2013 , vol. 32, # 19 p. 5481 - 5490
  • Route2

    References

    • Ye, Yingda; Kuenzi, Stefan A.; Sanford, Melanie S. Organic Letters, 2012 , vol. 14, # 19 p. 4979 - 4981,3 Title/Abstract Full Text Show Details Ye, Yingda; Kuenzi, Stefan A.; Sanford, Melanie S. Organic Letters, 2012 , vol. 14, # 19 p. 4979 - 4981
  • Route3

    References

    • Cannon, Kathleen A.; Geuther, Meagan E.; Kelly, Colin K.; Lin, Shirley; MacArthur, Amy H. Roy Organometallics, 2011 , vol. 30, # 15 p. 4067 - 4073

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.31
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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