Record Information
Version1.0
Creation Date2016-05-22 03:50:44 UTC
Update Date2016-11-09 01:15:30 UTC
Accession NumberCHEM016991
Identification
Common NameBeryllium sulfate tetrahydrate
ClassSmall Molecule
DescriptionA hydrate of beryllium sulfate containing beryllium (in +2 oxidation state), sulfate and water moieties in the ratio 1:1:4.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Beryllium monosulfate tetrahydrateChEBI
Beryllium sulfate, tetrahydrate (1:1:4)ChEBI
Beryllium sulphate tetrahydrateChEBI
Beryllium monosulfuric acid tetrahydric acidGenerator
Beryllium monosulphate tetrahydrateGenerator
Beryllium monosulphuric acid tetrahydric acidGenerator
Beryllium sulfuric acid, tetrahydric acid (1:1:4)Generator
Beryllium sulphate, tetrahydrate (1:1:4)Generator
Beryllium sulphuric acid, tetrahydric acid (1:1:4)Generator
Beryllium sulfuric acid tetrahydric acidGenerator
Beryllium sulphuric acid tetrahydric acidGenerator
Chemical FormulaBeH8O8S
Average Molecular Mass177.136 g/mol
Monoisotopic Mass177.006 g/mol
CAS Registry Number7787-56-6
IUPAC Nameberyllium(2+) ion tetrahydrate sulfate
Traditional Nameberyllium(2+) ion tetrahydrate sulfate
SMILES[Be++].O.O.O.O.[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/Be.H2O4S.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2
InChI KeyDIMYTQPLZWDZFE-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal oxoanionic compounds
Sub ClassAlkaline earth metal sulfates
Direct ParentAlkaline earth metal sulfates
Alternative Parents
Substituents
  • Alkaline earth metal sulfate
  • Inorganic beryllium 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
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
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 LinkNot Available
Chemspider IDNot Available
ChEBI ID53502
PubChem Compound ID62672
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=11207315
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=18886197