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Substance Name: Sodium 2-((3-(trifluoromethyl)phenyl)amino)benzoate
RN: 1977-00-0
InChIKey: PBUGSBBHKCUSBT-UHFFFAOYSA-M

Note

  • An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)

Molecular Formula

  • C14-H10-F3-N-O2.Na

Molecular Weight

  • 303.214
 
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Names and Synonyms

Synonym

  • EINECS 217-834-8

Systematic Names

  • Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, monosodium salt
  • Sodium 2-((3-(trifluoromethyl)phenyl)amino)benzoate

Registry Numbers

CAS Registry Number

  • 1977-00-0

System Generated Number

  • 0001977000

Molecular Formulas

Molecular Formula

  • C14-H10-F3-N-O2.Na

Molecular Formula Fragments

  • C14-H10-F3-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H10F3NO2.Na/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;/h1-8,18H,(H,19,20);/q;+1/p-1

InChIKey

PBUGSBBHKCUSBT-UHFFFAOYSA-M

Smiles

C(c1cc(Nc2c(C(=O)[O-])cccc2)ccc1)(F)(F)F.[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.29 (none)   EXP
Water Solubility 930 mg/L 25 EST
Vapor Pressure 1.34E-12 mm Hg 25 EST
Atmospheric OH Rate Constant 1.56E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.