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Substance Name: Benzoic acid, 3,5-bis(trifluoromethyl)-
RN: 725-89-3
InChIKey: HVFQJWGYVXKLTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H4-F6-O2

Molecular Weight

  • 258.117
 
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Names and Synonyms

Synonyms

  • 3,5-Bis(trifluoromethyl)benzoic acid
  • BRN 2058600
  • EINECS 211-970-1
  • NSC 88282

Systematic Names

  • 3,5-Bis(trifluoromethyl)benzoic acid
  • Benzoic acid, 3,5-bis(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 725-89-3

System Generated Number

  • 0000725893

Structure Descriptors

InChI

1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)

InChIKey

HVFQJWGYVXKLTE-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)C(O)=O)C(F)(F)F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: REGIDITY
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.