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, 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. Based on a literature review a significant number of articles have been published on Potassium bromide.
CAS Number7758-02-3
Structure
Thumb
Synonyms
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
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-2eb2fe1c077cf4e8f8ea2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-04e43aee27ae788450aa2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-1900000000-c1aac0ba0f450eb251d82019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-479e8fcc91674aa1d12b2021-10-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-479e8fcc91674aa1d12b2021-10-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0900000000-479e8fcc91674aa1d12b2021-10-21View Spectrum
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
Processing...
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