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CS-W001157 4
Total: USD 88.00

2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid

  • CAS No. 167887-95-8

  • Cat. No. CS-0447894
  • Purity≥98%
  • MDL No.None

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

2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid|CS-0447894

Structure of 167887-95-8

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General Information

  • CAS No. 167887-95-8
  • Cat. No. CS-0447894
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₄
  • Molecular Weight 235.12
  • Synonym(s) None
  • SMILES CC1=C(C(=C(C(=C1F)C(=O)O)[N+](=O)[O-])F)F

Synthesis

  • Route1
    • 2,4,5-Trifluoro-3-methylbenzoic acid|CS-0061141
      112822-85-2
    • ~41%
    • 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid|CS-0447894
      167887-95-8

    References

    • Yoshida; Yamamoto; Orita; Kakiuchi; Takahashi; Itakura; Kado; Mitani; Yasuda; Kato; Itoh Chemical and Pharmaceutical Bulletin, 1996 , vol. 44, # 5 p. 1074 - 1085

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   80.44
  • LogP   2.01872
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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