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Substance Name: Benzoic acid, 3,4,5-triiodo-
RN: 2338-20-7
InChIKey: UCBKDZNMPMBJAB-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-I3-O2

Molecular Weight

  • 499.799
 
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Names and Synonyms

Synonyms

  • 3,4,5-Triiodobenzoic acid
  • 3-09-00-01457 (Beilstein Handbook Reference)
  • AI3-27443
  • BRN 2264330
  • EINECS 219-050-1
  • NSC 11811

Systematic Names

  • 3,4,5-Triiodobenzoic acid
  • Benzoic acid, 3,4,5-triiodo-

Registry Numbers

CAS Registry Number

  • 2338-20-7

System Generated Number

  • 0002338207

Structure Descriptors

InChI

1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)

InChIKey

UCBKDZNMPMBJAB-UHFFFAOYSA-N

Smiles

c1(cc(c(I)c(c1)I)I)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01429,
mouse LD50 oral 4600mg/kg (4600mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.