Record Information
Version1.0
Creation date2011-09-21 00:20:19 UTC
Update date2015-07-21 06:57:23 UTC
Primary IDFDB022834
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameChlorite
DescriptionChlorite, also known as sodium chlorite, belongs to the class of inorganic compounds known as non-metal chlorites. These are inorganic non-metallic compounds containing a chlorite as its largest oxoanion. Chlorite is an extremely strong acidic compound (based on its pKa).
CAS Number14998-27-7
Structure
Thumb
Synonyms
SynonymSource
[ClO2](-)ChEBI
ClO2(-)ChEBI
Sodium chloriteMeSH
DioxidochlorateHMDB
chloritehmdb
Predicted Properties
PropertyValueSource
Water Solubility502 g/LALOGPS
logP-0.91ALOGPS
logP0.18ChemAxon
logS0.77ALOGPS
pKa (Strongest Acidic)-4.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.02 m³·mol⁻¹ChemAxon
Polarizability3.91 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaClO2
IUPAC namechlorite
InChI IdentifierInChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1
InChI KeyQBWCMBCROVPCKQ-UHFFFAOYSA-M
Isomeric SMILES[O-][Cl]=O
Average Molecular Weight67.452
Monoisotopic Molecular Weight66.958681951
Classification
Description Belongs to the class of inorganic compounds known as non-metal chlorites. These are inorganic non-metallic compounds containing a chlorite as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal chlorites
Direct ParentNon-metal chlorites
Alternative Parents
Substituents
  • Non-metal chlorite
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
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
SpectraNot Available
ChemSpider ID170734
ChEMBL IDNot Available
KEGG Compound IDC01486
Pubchem Compound ID197148
Pubchem Substance IDNot Available
ChEBI ID17441
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02077
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
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 IDChlorite
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