Record Information
Version1.0
Creation Date2016-05-26 01:43:58 UTC
Update Date2016-11-09 01:19:02 UTC
Accession NumberCHEM030208
Identification
Common NameDisodium tetraborate
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Disodium oxoboranyl [(oxoboranyl boronato)oxy]boronic acidGenerator
e285ChEMBL
Sodium tetraboric acidGenerator
Sodium tetrabateGenerator
Sodium tetrabic acidGenerator
Disodium tetraboric acidGenerator
Chemical FormulaB4Na2O7
Average Molecular Mass201.219 g/mol
Monoisotopic Mass201.981 g/mol
CAS Registry Number1330-43-4
IUPAC Namedisodium oxoboranyl [(oxoboranyl boronato)oxy]boronate
Traditional Namedisodium oxoboranyl (oxoboranyl boronato)oxyboronate
SMILES[Na+].[Na+].[O-]B(OB=O)OB([O-])OB=O
InChI IdentifierInChI=1S/B4O7.2Na/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1
InChI KeyRPAYJVFLNVKVRS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal borates. These are inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal borates
Direct ParentAlkali metal borates
Alternative Parents
Substituents
  • Borate
  • Alkali metal borate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
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
logP3.44ChemAxon
pKa (Strongest Acidic)8.19ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area107.95 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity9.82 m³·mol⁻¹ChemAxon
Polarizability12.42 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, Positivesplash10-0udi-3090000000-2a0aa44fe2b9e98ed570Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0uy3-9550000000-814273e860436194555eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014l-9000000000-090de2063169de3d481dSpectrum
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 IDHMDB0303514
FooDB IDFDB015387
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID4937317
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available