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2-Methoxy-5-(trifluoromethoxy)benzoic acid

  • CAS No. 191604-88-3

  • Cat. No. CS-0081619
  • Molecule weight236.14
  • Purity≥96%
  • MDL No.MFCD01862055

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

2-Methoxy-5-(trifluoromethoxy)benzoic acid|CS-0081619

Structure of 191604-88-3

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General Information

  • CAS No. 191604-88-3
  • Cat. No. CS-0081619
  • Purity ≥96%
  • MDL No. MFCD01862055
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₄
  • Molecular Weight 236.14
  • Synonym(s) 3-TRIFLUOROMETHOXY-6-METHOXYBENZOIC ACID
  • SMILES OC(C1=C(OC)C=CC(OC(F)(F)F)=C1)=O

Synthesis

  • Route1

    References

    • US2001/34343 A1, ;
  • Route2

    References

    • Castagnetti, Eva; Schlosser, Manfred Chemistry - A European Journal, 2002 , vol. 8, # 4 p. 799 - 804

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.292
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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