Record Information
Version1.0
Creation Date2016-05-19 05:04:47 UTC
Update Date2016-11-09 01:15:17 UTC
Accession NumberCHEM015800
Identification
Common NameIron chloride, hexahydrate
ClassSmall Molecule
DescriptionA hydrate that is the hexahydrate form of iron trichloride.
Contaminant Sources
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
FeCl3.6H2OChEBI
Ferric chloride hexahydrateChEBI
Ferric trichloride hexahydrateChEBI
Iron (III) chloride hexahydrateChEBI
Iron(3+) chloride hexahydrateChEBI
Ferric chloride hexahydric acidGenerator
Ferric trichloride hexahydric acidGenerator
Iron (III) chloride hexahydric acidGenerator
Iron(3+) chloride hexahydric acidGenerator
Iron trichloride hexahydric acidGenerator
Iron(3+);trichloride;hexahydric acidGenerator
Chemical FormulaCl3FeH12O6
Average Molecular Mass270.290 g/mol
Monoisotopic Mass268.905 g/mol
CAS Registry Number10025-77-1
IUPAC Nameiron(3+) ion hexahydrate trichloride
Traditional Nameiron(3+) ion hexahydrate trichloride
SMILESO.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3]
InChI IdentifierInChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
InChI KeyNQXWGWZJXJUMQB-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal salts
Sub ClassTransition metal chlorides
Direct ParentTransition metal chlorides
Alternative Parents
Substituents
  • Transition metal chloride
  • Inorganic chloride salt
  • 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
Water Solubility7.29 g/LALOGPS
logP2.06ALOGPS
logP0.61ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 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, Positivesplash10-014i-0090000000-076d66cf96cede5f003bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0090000000-076d66cf96cede5f003bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0090000000-076d66cf96cede5f003bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0090000000-a9da27999b547e6f2691Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0090000000-a9da27999b547e6f2691Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0090000000-a9da27999b547e6f2691Spectrum
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 LinkIron(III)_chloride
Chemspider IDNot Available
ChEBI ID86254
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available