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2D Structure
Also known as: 7553-56-2, I, Molecular iodine, Diiodine, Iodine crystals, Iodine solution
Molecular Formula
I2
Molecular Weight
253.8089  g/mol
InChI Key
PNDPGZBMCMUPRI-UHFFFAOYSA-N
FDA UNII
9679TC07X4

A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
molecular iodine
2.1.2 InChI
InChI=1S/I2/c1-2
2.1.3 InChI Key
PNDPGZBMCMUPRI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
II
2.2 Other Identifiers
2.2.1 UNII
9679TC07X4
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Iodine 127

2. Iodine-127

2.3.2 Depositor-Supplied Synonyms

1. 7553-56-2

2. I

3. Molecular Iodine

4. Diiodine

5. Iodine Crystals

6. Iodine Solution

7. Iodine Sublimed

8. Tincture Iodine

9. Vistarin

10. Eranol

11. Iodio

12. Iode

13. Iosan Superdip

14. Jood

15. Iodine-127

16. Iodine Tincture

17. Iodine Colloidal

18. Iodine Tincture Usp

19. Ethanolic Solution Of Iodine

20. Iodine ((127)i2)

21. Jodosan

22. Tegodyne

23. Jod [german, Polish]

24. Iodum

25. I2

26. Iodine Strong

27. 12190-71-5

28. Mfcd00011355

29. Nsc-42355

30. Jod

31. Chebi:17606

32. Iodine, Crystalline

33. 9679tc07x4

34. Iodine Solution, Wijs

35. Actomar

36. Iodio [italian]

37. Jod (german, Polish)

38. Jood [dutch]

39. Iode [french]

40. Iodine [jan]

41. Caswell No. 501

42. Diiodane

43. Hsdb 34

44. Iodine (resublimed)

45. Ccris 9223

46. Iodine [usp:jan]

47. Einecs 231-442-4

48. Nsc 42355

49. Epa Pesticide Chemical Code 046905

50. Iodine-iodide

51. Iodonium Iodide

52. Diatomic Iodine

53. Iodine Mild

54. Ai3-08544

55. Iodine,

56. Unii-9679tc07x4

57. Iodine, Elemental

58. I2i

59. Cadex (tn)

60. Iodine, Acs Reagent

61. Iodine Solution, 1n

62. Iodine-molecule

63. Iodine Lump, Ultra Dry

64. Iodine Solution, 5 Mm

65. Iodine [vandf]

66. Iodine [hsdb]

67. Iodium [hpus]

68. Iodine (jp17/usp)

69. Iodine [who-dd]

70. Iodine [who-ip]

71. Iodine [ii]

72. Iodine [mi]

73. Iodine [mart.]

74. Iodine Solution, 0.5 M

75. Ec 231-442-4

76. Iodine, Resublimed Crystals

77. Dsstox_cid_14672

78. Dsstox_rid_79188

79. Iodine Mild [vandf]

80. Iodine Solution, 0.05 M

81. Dsstox_gsid_34672

82. Iodine [ep Impurity]

83. Iodine Solution, 5%, Lugol

84. Iodine [ep Monograph]

85. Iodine Strong [vandf]

86. Iodum [who-ip Latin]

87. Iodine [usp Monograph]

88. Iodine 0.1n Standard Solution

89. Chembl1201225

90. Dtxsid7034672

91. Iodine, 99.99% Metals Basis

92. Iodine, Ar, >=99.8%

93. Iodine, Lr, >=99.5%

94. Iodine , Lugol's Solution 5%

95. Amy39508

96. Bcp31677

97. Nsc42355

98. Iodine, 1.0n Standardized Solution

99. Tox21_301294

100. Mfcd00164163

101. Iodine Solution, 0.02n (n/50)

102. Iodine, 0.01n Standardized Solution

103. Akos015902439

104. Iodine Spheres, Ultra Dry, -10 Mesh

105. Db05382

106. Iodine, 99.999% Trace Metals Basis

107. Iodine, Saj First Grade, >=99.0%

108. Iodine, >=99.99% Trace Metals Basis

109. Iodine, Usp, 99.8-100.5%

110. Iodine, Jis Special Grade, >=99.8%

111. Iodine, Vetec(tm) Reagent Grade, 99%

112. Ncgc00257544-01

113. Bp-21210

114. Iodine, Acs Reagent, >=99.8%, Solid

115. Iodine, Reagentplus(r), >=99%, Chips

116. Cas-7553-56-2

117. Iodine, Purum P.a., >=99.5% (rt)

118. Diiodine;iodum; Jood; Iode; Jod; Lugol

119. Iodine, Resublimed Crystals, Puratronic(r)

120. Ft-0627248

121. Ft-0696506

122. I0604

123. C01382

124. D00108

125. Iodine, 1.0n Standardized Solution In Ethanol

126. Iodine, Reagentplus(r), >=99.8% (titration)

127. Q2064483

128. Iodine, Puriss., >=99.5% (rt), Particles (round)

129. Iodine Spheres, Ultra Dry, -10 Mesh, 99.998% Metals Basis

130. Iodine, Anhydrous, Beads, -10 Mesh, 99.999% Trace Metals Basis

131. Iodine, Reagentplus(r), 99.7% Trace Metals Basis, Beads, 1-3 Mm

132. Iodide, Ion Chromatography Standard Solution, Specpure, I- 1000g/ml

133. Iodine, 0.1n Standardized Solution In Water, Contain 1-2% Potassium Iodide

134. Iodine Solution (0.02m In Thf/pyridine/h2o 70:20:10), For Dna Synthesis

135. Iodine Solution (0.05m In Thf/h2o/pyridine 70:20:10), For Dna Synthesis

136. Iodine, Puriss., Meets Analytical Specification Of Ph. Eur., Bp, Usp, 99.8-100.5%

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 253.8089 g/mol
Molecular Formula I2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass253.80895 g/mol
Monoisotopic Mass253.80895 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count2
Formal Charge0
Complexity0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Therapeutic Uses

Anti-Infective Agents, Local

National Library of Medicine's Medical Subject Headings online file (MeSH, 1999)


In treatment of dendritic keratitis ... the corneas of patients have been ... exposed to air practically saturated with iodine vapor ... staining of corneal epithelium and ... loss of this layer, but complete recovery in two or three days. Tincture of iodine, swabbed on cornea, has been employed ... with same results.

Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986., p. 519


Chief use of solution of elemental iodine is in the disinfection of the skin. ... May also be employed in the treatment of wounds and abrasions. Applied to abraded tissue, aqueous solution are less irritating than the tincture. ... In treatment of cutaneous infections due to bacteria and fungi, usp tincture or solution ... may be employed.

Gilman, A.G., L.S.Goodman, and A. Gilman. (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 7th ed. New York: Macmillan Publishing Co., Inc., 1985., p. 965


To treat thyrotoxic crisis or neonatal thyrotoxicosis.

American Medical Association, Department of Drugs. Drug Evaluations. 6th ed. Chicago, Ill: American Medical Association, 1986., p. 805


For more Therapeutic Uses (Complete) data for IODINE, ELEMENTAL (8 total), please visit the HSDB record page.


4.2 Drug Warning

In rare instances, individual may exhibit hypersensitivity to iodine and react markedly to moderate amount of the element applied to the skin. ... Iodine has a relatively low toxicity when therapeutic preparations are ingested. Few patients succumb to the effects of the drug.

Gilman, A.G., L.S.Goodman, and A. Gilman. (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 7th ed. New York: Macmillan Publishing Co., Inc., 1985., p. 965


POTENTIAL ADVERSE EFFECTS ON FETUS: Goiters, fetal encephalopathy. POTENTIAL SIDE EFFECTS ON BREAST-FED INFANT: May cause skin rash and thyroid suppression in infant. FDA Category:D (D = There is no evidence of human fetal risk but the potential benefits from use in pregnant women may be acceptable despite the potential risks (e.g., if the drug is needed in a life-threatening situation or for a serious disease for which safer drugs cannot be used or are ineffective.) /Iodides/ /from table II/

Stockton, D.L. and A.S. Paller. J Am Acad Dermatol 23 (1):87-103 (1990)


4.3 Minimum/Potential Fatal Human Dose

Doses of 2-3 g have been fatal.

Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 1926


4.4 Drug Indication

Investigated for use/treatment in breast disorders (unspecified) and pain (acute or chronic).


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)


Trace Elements

A group of chemical elements that are needed in minute quantities for the proper growth, development, and physiology of an organism. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) (See all compounds classified as Trace Elements.)


5.2 ATC Code

D - Dermatologicals

D08 - Antiseptics and disinfectants

D08A - Antiseptics and disinfectants

D08AG - Iodine products

D08AG03 - Iodine


5.3 Absorption, Distribution and Excretion

Little information is available on the gastrointestinal absorption of forms of iodine other than iodide. Iodine compounds, such as I2 and iodates (e.g., NaIO3), may undergo reduction to iodide before being absorbed in the small intestine, and absorption may not be complete.

DHHS/ATSDR; Toxicological Profile for Iodine p. 132 (2004)


Orally administered iodine is rapidly excreted in the urine and in smaller quantities in saliva, milk, sweat, bile, and other secretions. The storage of iodine in the thyroid depends upon the functional state of the gland.

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2974


Iodine is absorbed from the lung, converted to iodide in the body, and then excreted, mainly in urine.

International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1154


Iodine is removed from the blood & incorporated into the organic form in the thyroid gland. Free iodine is negligible in the body.

Jones, L.M., et al. Veterinary Pharmacology & Therapeutics. 4th ed. Ames: Iowa State University Press, 1977., p. 802


For more Absorption, Distribution and Excretion (Complete) data for IODINE, ELEMENTAL (8 total), please visit the HSDB record page.


5.4 Metabolism/Metabolites

Food present in the digestive tract rapidly inactivates iodine by converting it to comparatively harmless iodide.

Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. III-213


Inhaled methyl iodide and molecular iodine (I2) are rapidly converted to iodide. /Methyl iodide and iodine/

DHHS/ATSDR; Toxicological Profile for Iodine p. 141 (2004)


Ingested molecular iodine (I2) is converted to iodide.

DHHS/ATSDR; Toxicological Profile for Iodine p. 132 (2004)


5.5 Mechanism of Action

Molecular iodine is known to inhibit the induction and promotion of N-methyl-n-nitrosourea-induced mammary carcinogenesis, to regress 7,12-dimethylbenz(a)anthracene-induced breast tumors in rats.It has also been shown to have beneficial effects in fibrocystic human breast disease.


An acute iodide excess (above the preexisting dietary intake) transiently decreases the production of thyroid hormones in the thyroid gland; this is referred to as the acute Wolff-Chaikoff effect. In normal people, this is followed by a return to normal levels of hormone synthesis, referred to as escape from the acute Wolff-Chaikoff effect, without a significant change in circulating hormone levels. Escape is thought to be the result of down regulation of the sodium-iodide symport (NIS), the iodide transporter in the thyroid gland, resulting in a decrease in the intrathyroidal iodine and the resumption of normal hormone synthesis. An acute or chronic excess of iodide can also decrease circulating T4 and T3 levels and induce a hypothyroid state in some people who have underlying thyroid disorders. These effects are the result of a failure to escape from the acute Wolff-Chaikoff effect. Most people who experience iodine-induced hypothyroidism recover when the excess iodine intake is discontinued.

DHHS/ATSDR; Toxicological Profile for Iodine p. 51 (2004)