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CS-W001157 4
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2-(5-Trifluoromethyl-1H-indol-3-yl)acetic acid

  • CAS No. 378802-40-5

  • Cat. No. CS-0341911
  • Molecule weight243.18
  • Purity≥96%
  • MDL No.None

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

2-(5-Trifluoromethyl-1H-indol-3-yl)acetic acid|CS-0341911

Structure of 378802-40-5

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General Information

  • CAS No. 378802-40-5
  • Cat. No. CS-0341911
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈F₃NO₂
  • Molecular Weight 243.18
  • Synonym(s) 2-(5-(trifluoromethyl)-1H-indol-3-yl)acetic acid
  • SMILES C1=CC2=C(C=C1C(F)(F)F)C(=CN2)CC(=O)O

Synthesis

  • Route1

    References

    • Fujiwara, Shinya; Ozaki, Tomokazu; Kozono, Toshiro; Hattori, Kunihiro; Esaki, Toru Patent: US2003/162724 A1, 2003 ;
  • Route2

    References

    • GILEAD SCIENCES, INC.; BONDY, Steven S.; CANNIZZARO, Carina E.; CHOU, Chien-hung; HALCOMB, Randall L.; HU, Yunfeng Eric; LINK, John O.; LIU, Qi; SCHROEDER, Scott D.; TSE, Winston C.; ZHANG, Jennifer R. Patent: WO2013/6738 A1, 2013 ;

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.8138
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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