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Substance Name: 3,5-Diiodosalicylic acid
RN: 133-91-5
UNII: 1496OH15B6
InChIKey: DHZVWQPHNWDCFS-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C7-H4-I2-O3

Molecular Weight

  • 389.9056
 
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Names and Synonyms

Name of Substance

  • 3,5-Diiodosalicylic acid

Synonyms

  • 2-Hydroxy-3,5-diiodobenzenecarboxylic acid
  • 2-Hydroxy-3,5-diiodobenzoate
  • 2-Hydroxy-3,5-diiodobenzoic acid
  • 3,5-Diiodo-2-hydroxybenzoic acid
  • 3,5-Diiodosalicylate
  • 3,5-Diiodosalicylic acid
  • 4-27-00-07537 (Beilstein Handbook Reference)
  • AI3-33355
  • Benzoic acid, 3,5-diiodo-2-hydroxy-
  • BRN 2615358
  • EC 205-124-0
  • EINECS 205-124-0
  • NSC 6303
  • UNII-1496OH15B6

Systematic Names

  • 2-Hydroxy-3,5-diiodobenzoic acid
  • 3,5-Diiodosalicylic acid
  • Benzoic acid, 2-hydroxy-3,5-diiodo-
  • Salicylic acid, 3,5-diiodo-

Registry Numbers

CAS Registry Number

  • 133-91-5

FDA UNII

  • 1496OH15B6

Related Registry Numbers

  • 17274-17-8 (mono-hydrochloride salt)
  • 653-14-5 (mono-lithium salt)

System Generated Number

  • 0000133915

Structure Descriptors

InChI

1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

InChIKey

DHZVWQPHNWDCFS-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1C(=O)O)O)I)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 235.5 deg C   EXP
pKa Dissociation Constant 2.299 (none) 25 EXP
log P (octanol-water) 4.56 (none)   EXP
Water Solubility 192 mg/L 25 EXP
Vapor Pressure 5.93E-08 mm Hg 25 EST
Henry's Law Constant 7.63E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.19E-13 cm3/molecule-sec 25 EST

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