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CS-W001157 4
Total: USD 88.00

Methyl 2-cyano-3-(trifluoromethyl)benzoate

  • CAS No. 1211596-75-6

  • Cat. No. CS-0187472
  • Purity≥98%
  • MDL No.None

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

Methyl 2-cyano-3-(trifluoromethyl)benzoate|CS-0187472

Structure of 1211596-75-6

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General Information

  • CAS No. 1211596-75-6
  • Cat. No. CS-0187472
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆F₃NO₂
  • Molecular Weight 229.16
  • Synonym(s) None
  • SMILES COC(=O)C1=C(C#N)C(=CC=C1)C(F)(F)F

Synthesis

  • Route1
    • null|null
      392-85-8
    • ~%
    • In-stock
      Methyl 2-cyano-3-(trifluoromethyl)benzoate|CS-0187472
      1211596-75-6

    References

    • GLAXOSMITHKLINE LLC; KEENAN, Richard, M.; MILLER, Aaron, Bayne; QIN, Donghui Patent: WO2013/177349 A2, 2013 ;
  • Route2

    References

    • GLAXOSMITHKLINE LLC; KEENAN, Richard, M.; MILLER, Aaron, Bayne; QIN, Donghui Patent: WO2013/177349 A2, 2013 ;

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.36368
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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