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Substance Name: 2,3,5,6-Tetrachlorobenzoic acid
RN: 50-38-4
UNII: 3C2S8YI423
InChIKey: UYGUFXUBSNDUFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H2-Cl4-O2

Molecular Weight

  • 259.903
 
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Names and Synonyms

Name of Substance

  • 2,3,5,6-Tetrachlorobenzoic acid

Synonyms

  • 2,3,5,6-TBA
  • 2,3,5,6-Tetrachlorobenzoic acid
  • 4-09-00-01011 (Beilstein Handbook Reference)
  • BRN 1968842
  • NSC 138837
  • UNII-3C2S8YI423

Systematic Name

  • Benzoic acid, 2,3,5,6-tetrachloro-

Registry Numbers

CAS Registry Number

  • 50-38-4

FDA UNII

  • 3C2S8YI423

System Generated Number

  • 0000050384

Structure Descriptors

InChI

1S/C7H2Cl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)

InChIKey

UYGUFXUBSNDUFA-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1Cl)Cl)Cl)Cl)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 237mg/kg (237mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

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