Record Information
Version1.0
Creation Date2016-05-19 02:06:09 UTC
Update Date2016-11-09 01:09:36 UTC
Accession NumberCHEM005752
Identification
Common NameFERROCYANIDE SALTS
ClassSmall Molecule
Description
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
[Fe(CN)6](4-)ChEBI
Hexacyanoferrate IIChEBI
Hexacyanoferrate(4-)ChEBI
Hexacyanoferrate(II)ChEBI
Hexazyanoferrat(II)ChEBI
Hexacyanoferric acid IIGenerator
Hexacyanoferric acid(4-)Generator
Hexacyanoferric acid(II)Generator
Ferric hexacyanideHMDB
FerricyanideHMDB
Hexacyanoferrate IIIHMDB
Hexakis(cyano-C)-(OC-6-11)-ferrate(3-)HMDB
Hexakis(cyano-kappac)-(OC-6-11)-ferrate(3-)HMDB
Iron-hexacyanideHMDB
Chemical FormulaC6FeN6
Average Molecular Mass211.949 g/mol
Monoisotopic Mass211.953 g/mol
CAS Registry Number977171-91-7
IUPAC Namehexacyanoirontetrauide
Traditional Nameferrocyanide
SMILESN#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
InChI IdentifierInChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-4
InChI KeyORXDSIPBTFAEKJ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
KingdomOrganic compounds
Super ClassOrganic salts
ClassOrganic metal salts
Sub ClassOrganic transition metal salts
Direct ParentOrganic transition metal salts
Alternative Parents
Substituents
  • Organic transition metal salt
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organometallic compound
  • Organic transition metal moeity
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
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-0.26ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area142.74 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity39.93 m³·mol⁻¹ChemAxon
Polarizability16.92 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, Positivesplash10-03di-0090000000-2d7af05041da58cb0e2aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0090000000-2d7af05041da58cb0e2aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0090000000-2d7af05041da58cb0e2aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0090000000-c41135fe1174d860c95cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0090000000-c41135fe1174d860c95cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0090000000-c41135fe1174d860c95cSpectrum
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 IDHMDB0032287
FooDB IDFDB009438
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD-15487
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFerrocyanide
Chemspider ID10446887
ChEBI ID5032
PubChem Compound IDNot Available
Kegg Compound IDC01913
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. EAFUS: Everything Added to Food in the United States.