Chlorate (CHEM015981)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-20 14:55:51 UTC
Update Date2026-04-16 22:57:48 UTC
Accession NumberCHEM015981
Identification
Common NameChlorate
ClassSmall Molecule
DescriptionThe chlorate anion has the formula ClO3−. In this case, the chlorine atom is in the +5 oxidation state. "Chlorate" can also refer to chemical compounds containing this anion; chlorates are the salts of chloric acid. "Chlorate", when followed by a roman numeral in parenthesis, e.g. chlorate(VII), refers to a particular oxyanion of chlorine. As predicted by VSEPR, chlorate anions have trigonal pyrimidal structures. Chlorates are powerful oxidizers and should be kept away from organics or easily oxidized materials. Chlorates were once widely used in pyrotechnics, though their use has fallen due to their instability. Most pyrotechnic applications which used chlorates in the past now use perchlorates instead (Wikipedia). Chlorates are inorganic salts of chloric acid that contain the ClO3- ion. Chlorate is a selective inhibitor of the synthesis of the high energy donor of sulfate 3'-phosphoadenosine 5'-phosphosulfate (PAPS). High endothelial venules (HEVs) are specialized post-capillary venules found in lymphoid tissues, that support high levels of lymphocyte extravasation from the blood; sulfation is key to the uniqueness of the HEV ligands and PAPS synthesis is required for sulfation. (PMID: 9498065). Chlorate is a sulfate analogue that has been found to be a potent and nontoxic inhibitor of sulfation. Tyrosine sulfation is a widespread posttranslational modification that occurs in the trans Golgi in a reaction catalyzed by tyrosylprotein sulfotransferase. Tyrosine sulfation has been found to be irreversible, resulting in a life-long alteration in the phenotype of the secretory proteins. The intracellular transport kinetics of a secretory protein and the biological activity of certain neuropeptides have been found to be affected by this modification. (PMID: 3288098). Na chlorate intoxication can occur mainly through poisoning by herbicides containing chlorate salts. (PMID: 10831921, 2239069).
Contaminant Sources
  • Disinfection Byproducts
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
CHLoric acidGenerator
[ClO3](-)HMDB
CHLORATE ionHMDB
ClO3(-)HMDB
CHLORic acid IonHMDB
CHLateHMDB
CHLic acidHMDB
CHLate IonHMDB
CHLic acid IonHMDB
Chlorine oxideHMDB
Chemical FormulaClO3
Average Molecular Mass83.451 g/mol
Monoisotopic Mass82.954 g/mol
CAS Registry Number14866-68-3
IUPAC Nametrihydroxychloranediium
Traditional Nametrihydroxychloranediium
SMILES[O-][Cl](=O)=O
InChI IdentifierInChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1
InChI KeyXTEGARKTQYYJKE-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal halides
Sub ClassNot Available
Direct ParentOther non-metal halides
Alternative ParentsNot Available
Substituents
  • Other non-metal halide
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
Water Solubility4.09 g/LALOGPS
logP0.4ALOGPS
logS-1.6ALOGPS
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area60.69 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.83 m³·mol⁻¹ChemAxon
Polarizability5.86 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-000x-9000000000-4734e18ab9c2e0f2f379Spectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-0006-9000000000-f34edf2856f4fc02c934Spectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0006-9000000000-ed4046b040337db620d8Spectrum
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 IDHMDB0002036
FooDB IDFDB022811
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkChlorate
Chemspider ID94578
ChEBI ID49709
PubChem Compound ID134159812
Kegg Compound IDC01485
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Girard JP, Amalric F: Biosynthesis of sulfated L-selectin ligands in human high endothelial venules (HEV). Adv Exp Med Biol. 1998;435:55-62.
2. Huttner WB: Tyrosine sulfation and the secretory pathway. Annu Rev Physiol. 1988;50:363-76.
3. Valbonesi M, Bruni R: Clinical application of therapeutic erythrocytapheresis (TEA). Transfus Sci. 2000 Jun;22(3):183-94.
4. Mahieu P, Lauwerys R, Dive A, Hantson P: Poisoning by some insecticides, herbicides and fungicides. Acta Clin Belg Suppl. 1990;13:75-85.