Ferrous sulfate hydrate, unspecified (FeSO4.xH2O) (CHEM015814)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 05:05:16 UTC
Update Date2016-11-09 01:15:17 UTC
Accession NumberCHEM015814
Identification
Common NameFerrous sulfate hydrate, unspecified (FeSO4.xH2O)
ClassSmall Molecule
DescriptionA hydrate that is the monohydrate form of iron(2+) sulfate. It is obtained from the heptahydrate by heating above 65degreeC. It is used as a source of iron in the treatment of iron-deficiency anaemia (generally in solid-dosage treatments; for liquid-dosage treatments, the heptahydrate is normally used).
Contaminant Sources
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Dried ferrous sulfateChEBI
Exsiccated ferrous sulfateChEBI
Exsiccated iron(2+) sulfateChEBI
FeromaxChEBI
FeroritardChEBI
Ferro-gradumetChEBI
Ferrous sulfate (dried)ChEBI
Ferrous sulfate monohydrateChEBI
FeSO4.H2OChEBI
FespanChEBI
Iron(II) sulfate monohydrateChEBI
TetucurChEBI
Ferrous sulfate hydrateKegg
Fero-gradumetKegg
Dried ferrous sulfuric acidGenerator
Dried ferrous sulphateGenerator
Dried ferrous sulphuric acidGenerator
Exsiccated ferrous sulfuric acidGenerator
Exsiccated ferrous sulphateGenerator
Exsiccated ferrous sulphuric acidGenerator
Exsiccated iron(2+) sulfuric acidGenerator
Exsiccated iron(2+) sulphateGenerator
Exsiccated iron(2+) sulphuric acidGenerator
Ferrous sulfuric acid (dried)Generator
Ferrous sulphate (dried)Generator
Ferrous sulphuric acid (dried)Generator
Ferrous sulfuric acid monohydric acidGenerator
Ferrous sulphate monohydrateGenerator
Ferrous sulphuric acid monohydric acidGenerator
Iron(II) sulfuric acid monohydric acidGenerator
Iron(II) sulphate monohydrateGenerator
Iron(II) sulphuric acid monohydric acidGenerator
Ferrous sulfuric acid hydric acidGenerator
Ferrous sulphate hydrateGenerator
Ferrous sulphuric acid hydric acidGenerator
Iron(2+) sulfuric acid monohydric acidGenerator
Iron(2+) sulphate monohydrateGenerator
Iron(2+) sulphuric acid monohydric acidGenerator
Iron(2+);sulfuric acid;hydric acidGenerator
Iron(2+);sulphate;hydrateGenerator
Iron(2+);sulphuric acid;hydric acidGenerator
Chemical FormulaFeH2O5S
Average Molecular Mass169.920 g/mol
Monoisotopic Mass169.897 g/mol
CAS Registry Number13463-43-9
IUPAC Nameλ²-iron(2+) ion hydrate sulfate
Traditional Nameλ²-iron(2+) ion hydrate sulfate
SMILESO.[Fe++].[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2
InChI KeyXBDUTCVQJHJTQZ-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal oxoanionic compounds
Sub ClassTransition metal sulfates
Direct ParentTransition metal sulfates
Alternative Parents
Substituents
  • Transition metal sulfate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0900000000-e46de23589516e905318Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0900000000-e46de23589516e905318Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-0900000000-e46de23589516e905318Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0900000000-6a9ca8d7a1d2c5d37d1dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0900000000-6a9ca8d7a1d2c5d37d1dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0900000000-6a9ca8d7a1d2c5d37d1dSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
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 ID75834
PubChem Compound ID62712
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1149482
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=865369