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CS-W001157 4
Total: USD 88.00

1-Chloro-4-methoxy-2-(trifluoromethyl)benzene

  • CAS No. 400-73-7

  • Cat. No. CS-0452220
  • Purity≥98%
  • MDL No.None

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

1-Chloro-4-methoxy-2-(trifluoromethyl)benzene|CS-0452220

Structure of 400-73-7

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General Information

  • CAS No. 400-73-7
  • Cat. No. CS-0452220
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClF₃O
  • Molecular Weight 210.58
  • Synonym(s) 4-Chloro-3-(trifluoromethyl)anisole
  • SMILES COC1=CC(=C(C=C1)Cl)C(F)(F)F

Synthesis

  • Route1

    References

    • Cheung, Chi Wai; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 15 p. 3998 - 4001
  • Route2
    • 4-Chloro-3-(trifluoromethyl)aniline  Regorafenib Impurity|CS-0166941
      320-51-4
    • ~%
    • 1-Chloro-4-methoxy-2-(trifluoromethyl)benzene|CS-0452220
      400-73-7

    References

    • Mooradian et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 3470
  • Route3

    References

    • Mooradian et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 3470

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.3674
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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