Record Information
Version1.0
Creation Date2016-05-22 03:28:55 UTC
Update Date2016-11-09 01:15:23 UTC
Accession NumberCHEM016362
Identification
Common NameNickel(II) sulfate hexahydrate
ClassSmall Molecule
DescriptionA hydrate that is the hexahydrate of nickel sulfate.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Nickel monosulfate hexahydrateChEBI
Nickel sulphate hexahydrateChEBI
Nickel(II) sulfate hexahydrateChEBI
Nickel(II) sulphate hexahydrateChEBI
Nickel(2+) sulfate hexahydrateChEBI
Nickelous sulfate hexahydrateChEBI
Nickelous sulphate hexahydrateChEBI
Nickel monosulfuric acid hexahydric acidGenerator
Nickel monosulphate hexahydrateGenerator
Nickel monosulphuric acid hexahydric acidGenerator
Nickel sulfuric acid hexahydric acidGenerator
Nickel sulphuric acid hexahydric acidGenerator
Nickel(II) sulfuric acid hexahydric acidGenerator
Nickel(II) sulphuric acid hexahydric acidGenerator
Nickel(2+) sulfuric acid hexahydric acidGenerator
Nickel(2+) sulphate hexahydrateGenerator
Nickel(2+) sulphuric acid hexahydric acidGenerator
Nickelous sulfuric acid hexahydric acidGenerator
Nickelous sulphuric acid hexahydric acidGenerator
Nickel sulfate heptahydrateMeSH
Nickel sulfateMeSH
Nickel sulfate hexahydrate-(2)H-labeled CPDMeSH
Nickel sulfate monohydrateMeSH
Nickel sulfate hydrateMeSH
Chemical FormulaH12NiO10S
Average Molecular Mass262.848 g/mol
Monoisotopic Mass261.950 g/mol
CAS Registry Number10101-97-0
IUPAC Namenickel(2+) ion hexahydrate sulfate
Traditional Namenickel(2+) ion hexahydrate sulfate
SMILESO.O.O.O.O.O.[Ni++].[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2
InChI KeyRRIWRJBSCGCBID-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
  • Inorganic nickel compound
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, Positivesplash10-03di-0090000000-1262eebd3fa75fcfb750Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0090000000-1262eebd3fa75fcfb750Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0090000000-1262eebd3fa75fcfb750Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0090000000-84c2b72c94347823ac91Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0090000000-84c2b72c94347823ac91Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0090000000-84c2b72c94347823ac91Spectrum
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 LinkNickel_sulfate
Chemspider IDNot Available
ChEBI ID53437
PubChem Compound ID5284429
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=12756270
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=14734778
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=29079364
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=7615984
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=8991630