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Substance Name: Benzoic acid, 3-(trifluoromethyl)-, sodium salt (1:1)
RN: 69226-41-1
InChIKey: FETAXBXCYXFUNC-UHFFFAOYSA-M

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C8-H4-F3-O2.Na

Molecular Weight

  • 212.1016
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 3-(trifluoromethyl)-, sodium salt
  • m-Trifluorotoluic acid sodium salt

Systematic Names

  • Benzoic acid, 3-(trifluoromethyl)-, sodium salt (1:1)
  • m-Toluic acid, alpha,alpha,alpha-trifluoro-, sodium salt

Registry Numbers

CAS Registry Number

  • 69226-41-1

Related Registry Number

  • 454-92-2 (Parent)

System Generated Number

  • 0069226411

Molecular Formulas

Molecular Formula

  • C8-H4-F3-O2.Na

Molecular Formula Fragments

  • C8-H4-F3-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1

InChIKey

FETAXBXCYXFUNC-UHFFFAOYSA-M

Smiles

c1cc(cc(c1)C(F)(F)F)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 848mg/kg (848mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 130, Pg. 250, 1928.