Record Information
Version1.0
Creation date2010-04-08 22:11:50 UTC
Update date2018-05-29 01:18:46 UTC
Primary IDFDB015413
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium bromide (KBr)
DescriptionPotassium bromide (KBr), also known as kaliumbromid or KBr, belongs to the class of inorganic compounds known as alkali metal bromides. These are inorganic compounds in which the largest halogen atom is Bromine, and the heaviest metal atom an alkali metal. Potassium bromide (KBr) is possibly neutral. Potassium bromide (KBr) is a potentially toxic compound.
CAS Number7758-02-3
Structure
Thumb
Synonyms
SynonymSource
KaliumbromidChEBI
KBrChEBI
Bromide salt of potassiumbiospider
Hydrobromic acid potassium saltbiospider
Kali bromatumbiospider
POTASSIUM BROMIDEdb_source
Tripotassium tribromidebiospider
Predicted Properties
PropertyValueSource
logP-0.56ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.74 m³·mol⁻¹ChemAxon
Polarizability5.35 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaBrK
IUPAC namebromopotassium
InChI IdentifierInChI=1S/BrH.K/h1H;/q;+1/p-1
InChI KeyIOLCXVTUBQKXJR-UHFFFAOYSA-M
Isomeric SMILES[K]Br
Average Molecular Weight119.002
Monoisotopic Molecular Weight117.882044508
Classification
Description Belongs to the class of inorganic compounds known as alkali metal bromides. These are inorganic compounds in which the largest halogen atom is Bromine, and the heaviest metal atom an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal salts
Sub ClassAlkali metal bromides
Direct ParentAlkali metal bromides
Alternative Parents
Substituents
  • Alkali metal bromide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionBr 67.14%; K 32.86%DFC
Melting PointMp 734°DFC
Boiling PointBp 1435°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-2eb2fe1c077cf4e8f8eaSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-04e43aee27ae788450aaSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-1900000000-c1aac0ba0f450eb251d8Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC13198
Pubchem Compound ID253877
Pubchem Substance IDNot Available
ChEBI ID32030
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBX63-Q:KBX63-Q
EAFUS ID3114
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference