Record Information
Version1.0
Creation Date2016-05-20 14:54:36 UTC
Update Date2016-10-28 10:01:07 UTC
Accession NumberCHEM015921
Identification
Common NameBromate
ClassSmall Molecule
Description
Contaminant Sources
  • Disinfection Byproducts
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
[BrO3](-)ChEBI
BrO3(-)ChEBI
BromatChEBI
Bromic acidGenerator
BromatesMeSH
Chemical FormulaBrO3
Average Molecular Mass127.902 g/mol
Monoisotopic Mass126.904 g/mol
CAS Registry NumberNot Available
IUPAC Namebromate
Traditional Namebromate
SMILES[O-][Br](=O)=O
InChI IdentifierInChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1
InChI KeySXDBWCPKPHAZSM-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal bromates. These are inorganic non-metallic compounds containing a bromate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal bromates
Direct ParentNon-metal bromates
Alternative Parents
Substituents
  • Non-metal bromate
  • Inorganic oxide
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
logP0.19ChemAxon
pKa (Strongest Acidic)1.27ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.2 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.06 m³·mol⁻¹ChemAxon
Polarizability5.75 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 LinkBromate
Chemspider IDNot Available
ChEBI ID29223
PubChem Compound ID84979
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available