Ferric ammonium oxalate (CHEM004397)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 01:43:40 UTC
Update Date2016-11-09 01:09:20 UTC
Accession NumberCHEM004397
Identification
Common NameFerric ammonium oxalate
ClassSmall Molecule
DescriptionFerric ammonium oxalate is a chemical compound. It is mostly used for the manufacture of blueprint paper.
Contaminant Sources
  • Clean Air Act Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Ammonium ferric oxalic acidGenerator
Iron(3+) ion oxalate triamine hydrogen oxalate oxalateGenerator
Iron(3+) ion oxalic acid triamine hydrogen oxalic acid oxalic acidGenerator
Chemical FormulaC6H12FeN3O12
Average Molecular Mass374.016 g/mol
Monoisotopic Mass373.977 g/mol
CAS Registry Number2944-67-4
IUPAC Nameiron(3+) ion oxalic acid triamine hydrogen oxalate oxalate
Traditional Nameiron(3+) ion oxalic acid triamine hydrogen oxalate oxalate
SMILESN.N.N.[Fe+3].OC(=O)C(O)=O.OC(=O)C([O-])=O.[O-]C(=O)C([O-])=O
InChI IdentifierInChI=1S/3C2H2O4.Fe.3H3N/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;3*1H3/q;;;+3;;;/p-3
InChI KeyUEUDBBQFZIMOQJ-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
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 Solubility3 g/LALOGPS
logP0.18ALOGPS
logP-0.26ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)1.36ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity36.11 m³·mol⁻¹ChemAxon
Polarizability5.46 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
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 LinkFerric ammonium oxalate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID26580
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available