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2D Structure
Also known as: 7758-94-3, Dichloroiron, Fecl2, Iron(2+) chloride, Iron (ii) chloride, Iron(ii)chloridetetrahydrate
Molecular Formula
Cl2Fe
Molecular Weight
126.75  g/mol
InChI Key
NMCUIPGRVMDVDB-UHFFFAOYSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dichloroiron
2.1.2 InChI
InChI=1S/2ClH.Fe/h2*1H;/q;;+2/p-2
2.1.3 InChI Key
NMCUIPGRVMDVDB-UHFFFAOYSA-L
2.1.4 Canonical SMILES
Cl[Fe]Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 7758-94-3

2. Dichloroiron

3. Fecl2

4. Iron(2+) Chloride

5. Iron (ii) Chloride

6. Iron(ii)chloridetetrahydrate

7. Iron(ii) Chloride, Anhydrous

8. Mfcd00011004

9. Ferrous Dichloride

10. Iron Protochloride

11. Natural Lawrencite

12. Ferro 66

13. Iron Chloride (fecl2)

14. Iron(ii) Chloride (1:2)

15. Hsdb 459

16. Fe(ii) Chloride

17. Einecs 231-843-4

18. Na1759

19. Iron (11) Chloride

20. Ferrous Chloride, Solid

21. [fecl2]

22. Ferrous Chloride, Solution

23. Unii-s3y25php1w

24. Iron(ii) Chloride, 98%

25. Iron(ii) Chloride, Ultra Dry

26. Chebi:30812

27. Akos015902899

28. Sc10849

29. Ncgc00248559-01

30. Ft-0689813

31. Ec 231-843-4

32. Ferrous Chloride, Solid [na1759] [corrosive]

33. Q407867

34. Ferrous Chloride, Solution [na1760] [corrosive]

35. Iron(ii) Chloride, Anhydrous, Beads, -10 Mesh, 99.9% Trace Metals Basis

36. Iron(ii) Chloride, Anhydrous, Beads, -10 Mesh, 99.99% Trace Metals Basis

37. Iron(ii) Chloride, Anhydrous, Beads, -10 Mesh, 99.998% Trace Metals Basis

2.3 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 126.75 g/mol
Molecular Formula Cl2Fe
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass125.872641 g/mol
Monoisotopic Mass125.872641 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity2.8
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

Ferrous /salts/ are ... available ... for ... prevention and treatment of iron deficiency. /Iron preparations, oral/

McEvoy, G.K. (ed.). AHFS Drug Information 90. Bethesda, MD: American Society of Hospital Pharmacists, Inc., 1990 (Plus Supplements 1990)., p. 716


4.2 Drug Warning

IRON CMPD ARE CONTRAINDICATED IN PATIENT WITH PRIMARY HEMOCHROMATOSIS. THEY SHOULD NOT BE USED TO TREAT HEMOLYTIC ANEMIAS UNLESS IRON-DEFICIENT STATE ALSO EXISTS, SINCE STORAGE OF IRON WITH POSSIBLE SECONDARY HEMOCHROMATOSIS CAN RESULT. IRON OVERLOAD IS PARTICULARLY LIKELY TO OCCUR IN PATIENT GIVEN EXCESSIVE AMT OF PARENTERAL IRON, IN THOSE TAKING BOTH ORAL & PARENTERAL PREPN, & IN PATIENT WITH HEMOGLOBINOPATHIES OR OTHER REFRACTORY ANEMIAS THAT MIGHT BE ERRONEOUSLY DIAGNOSED AS IRON DEFICIENCY ANEMIAS. IRON SHOULD NOT BE GIVEN TO PATIENT RECEIVING REPEATED BLOOD TRANSFUSIONS ... . PROLONGED ADMIN SHOULD BE AVOIDED EXCEPT IN PATIENT WITH CONTINUED BLEEDING, INCL UNCORRECTABLE MENORRHAGIA, COPIOUS MENSTRUAL PERIODS, OR REPEATED PREGNANCIES. /IRON CMPD/

American Medical Association, AMA Department of Drugs, AMA Drug Evaluations. 3rd ed. Littleton, Massachusetts: PSG Publishing Co., Inc., 1977., p. 98


... Studies on ... subjects have established that physical intolerance does occur. With a dose of 200 mg of iron per day divided into three equal portions, symptoms occurred in approximately 25% of individuals, compared to an incidence of 13% among those receiving placebos; this increased to 42% when the dosage of iron was doubled. Nausea and upper abdominal pain were increasingly common manifestations at high dosage. Constipation and diarrhea ... were not more prevalent at higher dosage, nor was heartburn. /Iron & iron salts/

Gilman, A. G., L. S. Goodman, and A. Gilman. (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 6th ed. New York: Macmillan Publishing Co., Inc. 1980., p. 1324


... LARGE AMT MAY INTERFERE WITH SOME TESTS USED FOR DETECTION OF OCCULT BLOOD IN STOOL; GUAIAC TEST OCCASIONALLY YIELDS FALSE-POSITIVE TESTS FOR BLOOD ... . /IRON SALTS/

Goodman, L.S., and A. Gilman. (eds.) The Pharmacological Basis of Therapeutics. 5th ed. New York: Macmillan Publishing Co., Inc., 1975., p. 1317


Malabsorption syndromes (eg, tropical sprue, celiac disease, partial gastrectomy) and apparent intolerance to iron usually do not constitute valid indications for parenteral iron therapy. Marked malabsorption of iron is rare. Following gastric resection, rapid transit past the duodenum may reduce absorption. However, even in these patients, absorption usually is adequate to produce a therapeutic response, particularly if a liquid preparation is used. Intolerance probably is dose related and may be corrected by decreasing the size of each dose. /Iron/

American Medical Association, Department of Drugs. Drug Evaluations. 6th ed. Chicago, Ill: American Medical Association, 1986., p. 590


4.3 Minimum/Potential Fatal Human Dose

As little as 1 to 2 g of iron may cause death ... /in child/. /Ferrous salts/

Gilman, A.G., T.W. Rall, A.S. Nies and P. Taylor (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 8th ed. New York, NY. Pergamon Press, 1990., p. 1291


5 Pharmacology and Biochemistry
5.1 Absorption, Distribution and Excretion

ORAL ABSORPTION OF IRON IS VERY COMPLICATED & INTESTINAL MUCOSA IS PRINCIPAL SITE FOR LIMITING ABSORPTION ... IN THIS HOMEOSTATIC MECHANISM DIVALENT FORM IS ABSORBED INTO GI MUCOSA & CONVERTED TO TRIVALENT FORM & ATTACHED TO FERRITIN. ... /WHICH/ PASSES INTO BLOODSTREAM & IS THEN CONVERTED TO TRANSFERRIN WHERE THE IRON REMAINS IN THE TRIVALENT FORM OR IS TRANSPORTED TO THE LIVER OR SPLEEN FOR STORAGE AS FERRITIN OR HEMOSIDERIN. IRON HAS BEEN SHOWN TO CROSS PLACENTA & CONCENTRATE IN FETUS. ... WITH INCREASES IN IRON BEYOND PHYSIOLOGIC LIMITS, MOST IS EXCRETED IN FECES, BUT SMALL AMT MAY ACCUM. SOME IRON MAY BE EXCRETED VIA THE BILE. IN CASES OF OVERLOAD, IRON IS EXCRETED IN THE URINE, & THE PRESENCE OF HIGH URINARY IRON CONCN IS INDICATIVE OF EXCESSIVE IRON. /IRON SALTS/

Doull, J., C.D. Klaassen, and M. D. Amdur (eds.). Casarett and Doull's Toxicology. 2nd ed. New York: Macmillan Publishing Co., 1980., p. 446


The body store of iron is divided between iron-containing cmpd that are essential and those in which excess iron is held in storage. ... Hemoglobin dominates the essential fraction. ... The two predominant sites of iron storage are the reticuloendothelial system and the hepatocytes, although some storage also occurs in muscle ... . Internal exchange of iron is accomplished by the plasma protein transferrin. ... About 80% of the iron in plasma goes to the erythroid marrow to be packaged into new erythrocytes; these normally circulate for about 120 days before being catabolized by the reticuloendothelium. At that time a portion of the iron is immediately returned to the plasma bound to transferrin, while another portion is incorporated into the ferritin stores of the reticuloendothelial cell and is returned to the circulation more gradually. /Iron & iron salts/

Gilman, A.G., T.W. Rall, A.S. Nies and P. Taylor (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 8th ed. New York, NY. Pergamon Press, 1990., p. 1283


The most remarkable feature of iron metabolism in man is the degree to which the body store is conserved. Only 10% of the total is lost per year from normal men, that is, about 1 mg per day ... . Two thirds of this iron is excreted from the GI tract as extravasated red cells, iron in bile, and iron in exfoliated mucosal cells. The other third is accounted for by small amounts of iron in desquamated skin and in the urine. ... The biochemical nature of the absorptive process is understood only in general terms ... . After acidification and partial digestion of food in the stomach, its content of iron is presented to the intestinal mucosa as either inorganic or heme iron. These fractions are taken up by the absorptive cells of the duodenum and upper small intestine, and the iron is either transported directly into the plasma or is stored as mucosal ferritin. ... Normal absorption is about 1 mg per day in the adult male and 1.4 mg per day in the adult female. /Iron & iron salts/

Gilman, A.G., T.W. Rall, A.S. Nies and P. Taylor (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 8th ed. New York, NY. Pergamon Press, 1990., p. 1284


Substantial amounts of many metals are excreted in the sweat, including ... iron. ... The potential exists, depending on sweat rates and acclimatization, for substantial losses of these metals in sweat. /Iron salts/

Doull, J., C.D.Klassen, and M.D. Amdur (eds.). Casarett and Doull's Toxicology. 3rd ed., New York: Macmillan Co., Inc., 1986., p. 418


5.2 Metabolism/Metabolites

IN CELL FE++ ... CONVERTED TO FE+++ IN FERRITIN. NO IRON ABSORPTION AS FERRITIN OCCURS UNTIL CELL IS PHYSIOLOGICALLY "DEPLETED." FE, HOWEVER, IS WITHDRAWN FROM FERRITIN AS FE++ AS NEED ARISES. FE RELEASED DIRECTLY INTO BLOOD STREAM ... QUICKLY OXIDIZED BY DISSOLVED O2 TO FE+++ WHICH COMPLEXES WITH SPECIFIC FE-TRANSPORT B1-GLOBULIN ... . /IRON IONS/

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. 1667