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CS-W001157 4
Total: USD 88.00

1-Iodo-3-(trifluoromethyl)benzene

  • CAS No. 401-81-0

  • Cat. No. CS-W003967
  • Purity≥98%
  • MDL No.MFCD00001049

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

1-Iodo-3-(trifluoromethyl)benzene|CS-W003967

Structure of 401-81-0

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General Information

  • CAS No. 401-81-0
  • Cat. No. CS-W003967
  • Purity ≥98%
  • MDL No. MFCD00001049
  • 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-m-iodotoluene
  • SMILES Ic1cccc(c1)C(F)(F)F

Description

Sonogashira coupling reaction between 3-iodobenzotrifluoride and phenylacetylene using a palladium system has been reported.3-Iodobenzotrifluoride was used in the preparation of zinc 5,10,15,20-tetrakis(3-(trifluoromethyl)phenylethynyl)porphyrin.

Synthesis

  • Route1

    References

    • Ren, Yun-Lai; Tian, Xin-Zhe; Dong, Chuanhua; Zhao, Shuang; Wang, Jianji; Yan, Mengjie; Qi, Xiaoguang; Liu, Guihua Catalysis Communications, 2013 , vol. 32, p. 15 - 17
  • Route2
    • null|null
      98-08-8
    • ~81%
    • In-stock
      1-Iodo-3-(trifluoromethyl)benzene|CS-W003967
      401-81-0

    References

    • Chambers, Richard D.; Skinner, Christopher J.; Atherton, Malcolm; Moilliet, John S. Journal of the Chemical Society, Chemical Communications, 1995 , # 1 p. 19 - 20
  • Route3

    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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H411
Precautionary Statements : P273-P391-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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