ContaminantDB: Ferrous sulfate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:45:31 UTC

Update Date

2016-11-09 01:09:21 UTC

Accession Number

CHEM004449

Identification

Common Name

Ferrous sulfate

Class

Small Molecule

Description

A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Fe(II)so4	ChEBI
Ferrous sulfate	ChEBI
Ferrous sulfate (anh.)	ChEBI
Ferrous sulfate (anhydrous)	ChEBI
Ferrous sulfate anhydrous	ChEBI
FeSO4	ChEBI
Iron sulfate (1:1)	ChEBI
Iron(2+) sulfate (anh.)	ChEBI
Iron(II) sulfate	ChEBI
Iron(II) sulfate (1:1)	ChEBI
Ferrous sulfuric acid	Generator
Ferrous sulphate	Generator
Ferrous sulphuric acid	Generator
Ferrous sulfuric acid (anh.)	Generator
Ferrous sulphate (anh.)	Generator
Ferrous sulphuric acid (anh.)	Generator
Ferrous sulfuric acid (anhydrous)	Generator
Ferrous sulphate (anhydrous)	Generator
Ferrous sulphuric acid (anhydrous)	Generator
Ferrous sulfuric acid anhydrous	Generator
Ferrous sulphate anhydrous	Generator
Ferrous sulphuric acid anhydrous	Generator
Iron sulfuric acid (1:1)	Generator
Iron sulphate (1:1)	Generator
Iron sulphuric acid (1:1)	Generator
Iron(2+) sulfuric acid (anh.)	Generator
Iron(2+) sulphate (anh.)	Generator
Iron(2+) sulphuric acid (anh.)	Generator
Iron(II) sulfuric acid	Generator
Iron(II) sulphate	Generator
Iron(II) sulphuric acid	Generator
Iron(II) sulfuric acid (1:1)	Generator
Iron(II) sulphate (1:1)	Generator
Iron(II) sulphuric acid (1:1)	Generator
Iron(II) sulfuric acid (feso4)	Generator
Iron(II) sulphate (feso4)	Generator
Iron(II) sulphuric acid (feso4)	Generator
Iron(II) sulfate heptahydrate	MeSH
Eisensulfat stada	MeSH
Slow-fe	MeSH
Feratab	MeSH
Fero-gradumet	MeSH
Hemobion	MeSH
Plastufer	MeSH
Ferro-gradumet	MeSH
Haemoprotect	MeSH
Ferogradumet	MeSH
Eisendragees-ratiopharm	MeSH
Ferrograd	MeSH
Ferrogamma	MeSH
Fer-in-sol	MeSH
FERROinfant	MeSH
Kendural	MeSH
Conferon	MeSH
Ceferro	MeSH
Mol-iron	MeSH
Ferrous sulfate, heptahydrate	MeSH
Feospan	MeSH
Vitaferro kapseln	MeSH
Ferodan	MeSH
Apo-ferrous sulfate	MeSH
Aktiferrin	MeSH
Hemofer	MeSH
Biofer	MeSH
Fer-gen-sol	MeSH
Hämatopan	MeSH
λ²-iron(2+) ion sulfuric acid	Generator
λ²-iron(2+) ion sulphate	Generator
λ²-iron(2+) ion sulphuric acid	Generator

Chemical Formula

FeO₄S

Average Molecular Mass

151.908 g/mol

Monoisotopic Mass

151.887 g/mol

CAS Registry Number

7720-78-7

IUPAC Name

λ²-iron(2+) ion sulfate

Traditional Name

λ²-iron(2+) ion sulfate

SMILES

[Fe++].[O-]S([O-])(=O)=O

InChI Identifier

InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

InChI Key

BAUYGSIQEAFULO-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.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Transition metal oxoanionic compounds

Sub Class

Transition metal sulfates

Direct Parent

Transition metal sulfates

Alternative Parents

Substituents

Transition metal sulfate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

metal sulfate (CHEBI:75832 )
iron molecular entity (CHEBI:75832 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-0.84	ChemAxon
pKa (Strongest Acidic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.53 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0900000000-1afa4be47f57df0b05ba	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-1afa4be47f57df0b05ba	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0900000000-1afa4be47f57df0b05ba	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0900000000-f3e33aafa883ca2992e1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0900000000-f3e33aafa883ca2992e1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-0900000000-f3e33aafa883ca2992e1	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT000084

HMDB ID

Not Available

FooDB ID

FDB014740

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

CPD0-2386

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Iron(II)_sulfate

Chemspider ID

Not Available

ChEBI ID

75832

PubChem Compound ID

24393

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Ferrous sulfate (CHEM004449)

Structure for CHEM004449: Ferrous sulfate