Record Information
Version1.0
Creation Date2009-03-06 18:58:08 UTC
Update Date2016-11-09 01:08:10 UTC
Accession NumberCHEM000122
Identification
Common NameIodine-131
ClassSmall Molecule
DescriptionIodine is a chemical element that has the symbol I and atomic number 53. Chemically, iodine is the second least reactive of the halogens, and the second most electropositive halogen; trailing behind astatine in both of these categories. However, the element does not occur in the free state in nature. As with all other halogens, when freed from its compounds iodine forms diatomic molecules. Iodine naturally occurs in the environment chiefly as a dissolved iodide in seawater, although it is also found in some minerals and soils. Iodine is an essential trace element for life, mainly as constituents of the thyroid hormones, thyroxine (10) and triiodothyronine (9). Iodine-131 is used in nuclear medicine both diagnostically and therapeutically. Examples of its use in radiation therapy include the treatment of thyrotoxicosis and thyroid cancer. Diagnostic tests exploit the mechanism of absorption of iodine by the normal cells of the thyroid gland. Iodine-131 is also used as a radioactive label for radiopharmaceuticals that can be used for imaging and therapy. (5, 6)
Contaminant Sources
  • IARC Carcinogens General
  • IARC Carcinogens Group 1
  • T3DB toxins
Contaminant Type
  • Halogen
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Natural Compound
  • Non-Metal
  • Pollutant
  • Radioactive
  • Radioactive Isotope
Chemical Structure
Thumb
Synonyms
ValueSource
Iodine radioisotopesMeSH
Radioisotopes, iodineMeSH
Chemical FormulaHI
Average Molecular Mass131.914 g/mol
Monoisotopic Mass131.914 g/mol
CAS Registry Number10043-66-0
IUPAC Name(¹³¹I)hydrogen iodide
Traditional Name(¹³¹I)hydrogen iodide
SMILES[131IH]
InChI IdentifierInChI=1S/HI/h1H/i1+4
InChI KeyXMBWDFGMSWQBCA-RNFDNDRNSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen hydrides
Direct ParentHalogen hydrides
Alternative Parents
Substituents
  • Halogen hydride
  • Inorganic hydride
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceGrey solid.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP1.02ChemAxon
pKa (Strongest Acidic)-9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity14.75 m³·mol⁻¹ChemAxon
Polarizability5.53 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-f0249ef9ae57c84380cbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-f0249ef9ae57c84380cbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-f0249ef9ae57c84380cbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-c7ba9a89ddfa0dea3badSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-c7ba9a89ddfa0dea3badSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-c7ba9a89ddfa0dea3badSpectrum
Toxicity Profile
Route of ExposureOral (4) ; Inhalation (4) ; Dermal (4)
Mechanism of ToxicityIodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism. The ionizing radiation produced by radioiodine causes cellular damage that includes DNA breakage, accurate or inaccurate repair, apoptosis, gene mutations, chromosomal change, and genetic instability. This leads to loss of normal cell and tissue homeostasis, and development of malignancy. Ionizing radiation that does not directly damage DNA can produce reactive oxygen intermediates that directly affect the stability of p53, an important enzyme in cell-cycle regulation, and produce oxidative damage to individual bases in DNA and point mutations by mispairing during DNA replication. (2, 3, 4)
MetabolismIodine can enter the body following ingestion, inhalaiton, or dermal exposure. In the body, iodine and iodide accumulates in the thyroid gland, where it is used for producing the thyroid hormones T4 and T3. Iodide in the thyroid gland is incorporated into a protein, thyroglobulin, as covalent complexes with tyrosine residues. The iodination of thyroglobulin is catalyzed by the enzyme thyroid peroxidase. The iodination reactions occur at the follicular cell-lumen interface and consist of the oxidation of iodide to form a reactive intermediate, the formation of monoiodotyrosine and diiodotyrosine residues in thyroglobulin, and the coupling of theiodinated tyrosine residues to form T4 (coupling of two diiodotyrosine residues) or T3 (coupling of a monoiodotyrosine and diiodotyrosine residue) in thyroglobulin. The major pathways of metabolism of iodine that occur outside of the thyroid gland involve the catabolism of T4 and T3, and include deiodination reactions, ether bond cleavage of thyronine, oxidative deamination and decarboxylation of the side chain of thyronine, and conjugation of the phenolic hydroxyl group on thyronine with glucuronic acid and sulfate. Absorbed iodine is excreted primarily in the urine and feces, but is also excreted in breast milk, exhaled air, sweat, and tears. (4)
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (1)
Uses/SourcesIodine-131 is used in nuclear medicine both diagnostically and therapeutically. Examples of its use in radiation therapy include the treatment of thyrotoxicosis and thyroid cancer. Diagnostic tests exploit the mechanism of absorption of iodine by the normal cells of the thyroid gland. Iodine-131 is also used as a radioactive label for radiopharmaceuticals that can be used for imaging and therapy. (6)
Minimum Risk LevelNot Available
Health EffectsExposure to high levels of nonradioactive and radioactive iodine can damage the thyroid. Damage to the thyroid gland can result in effects in other parts of your body, such as your skin, lung, and reproductive organs. Concentrated iodine is very corrosive and can damage the mucous membrane if swallowed. Radioactive iodine can also cause cancer, especially of the thyroid, where it tends to concentrate. (4, 6, 7)
SymptomsIngestion of iodine may cause corrosive effects such as oedema of the glottis, with asphyxia, aspiration pneumonia, pulmonary oedema and shock, as well as vomiting and bloody diarrhea. The CNS, cardiovascular and renal toxicity following acute iodine ingestion appear to be due to the corrosive gastroenteritis and resultant shock. Vomiting, hypotension and circulatory collapse may be noted following severe intoxication. Exposure to high doses of ionizing radiation results in acute radiation syndrome, which can cause skin burns, hair loss, nausea, vomiting, dizziness, disorientation, low blood pressure, headache, fatigue, weakness, fever, birth defects, illness, infection, and death. (2, 8, 7)
TreatmentSodium thiosulphate, 100 mL orally of a 1% solution, has been recommended as an antidote because it immediately reduces iodine to iodide. Treatment reversing the effects of irradiation is currently not possible. Anaesthetics and antiemetics are administered to counter the symptoms of exposure, as well as antibiotics for countering secondary infections due to the resulting immune system deficiency. (8, 7)
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID167196
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available