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CS-W001157 4
Total: USD 88.00

Methyl (2-nitro-4-trifluoromethylphenyl)acetate

  • CAS No. 13544-07-5

  • Cat. No. CS-0205426
  • Purity≥98%
  • MDL No.MFCD09800854

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

Methyl (2-nitro-4-trifluoromethylphenyl)acetate|CS-0205426

Structure of 13544-07-5

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General Information

  • CAS No. 13544-07-5
  • Cat. No. CS-0205426
  • Purity ≥98%
  • MDL No. MFCD09800854
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈F₃NO₄
  • Molecular Weight 263.17
  • Synonym(s) Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate
  • SMILES O=C(OC)CC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Synthesis

  • Route1
    • Dimethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonate|CS-0197120
      290825-52-4
    • ~64%
    • Methyl (2-nitro-4-trifluoromethylphenyl)acetate|CS-0205426
      13544-07-5

    References

    • Georg, Gunda I.; Tash, Joseph S.; Chakrasali, Ramappa; Jakkaraj, Sudhakar Rao Patent: US2006/47126 A1, 2006 ; Location in patent: Page/Page column 26 ;
  • Route2

    References

    • MERCK PATENT GMBH Patent: WO2005/75425 A2, 2005 ; Location in patent: Page/Page column 230 ; WO 2005/075425 A2
  • Route3
    • null|null
      121-17-5
    • ~%
    • Methyl (2-nitro-4-trifluoromethylphenyl)acetate|CS-0205426
      13544-07-5

    References

    • Israel Journal of Chemistry, , vol. 4, p. 155 - 159

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.3291
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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