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Record Information
Version1.0
Creation Date2009-03-06 18:58:28 UTC
Update Date2016-11-09 01:08:12 UTC
Accession NumberCHEM000249
Identification
Common NameSodium arsenate
ClassSmall Molecule
DescriptionSodium arsenate is a chemical compound of sodium and arsenic. It is derived from arsenic acid. Arsenic is a chemical element that has the symbol As and atomic number 33. It is a poisonous metalloid that has many allotropic forms: yellow (molecular non-metallic) and several black and grey forms (metalloids) are a few that are seen. Three metalloidal forms of arsenic with different crystal structures are found free in nature (the minerals arsenopyrite and the much rarer arsenolamprite and pararsenolamprite), but it is more commonly found as a compound with other elements. (3)
Contaminant Sources
  • Clean Air Act Chemicals
  • IARC Carcinogens Group 1
  • T3DB toxins
Contaminant Type
  • Arsenic Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
Arsenic acid, monosodium saltChEBI
Monosodium arsenateChEBI
NAH2aco4ChEBI
Sodium dihydrogen orthoarsenateChEBI
Arsenate, monosodium saltGenerator
Monosodium arsenic acidGenerator
Sodium dihydrogen orthoarsenic acidGenerator
Sodium arsenic acidGenerator
Sodium arsenate, dibasicMeSH
Na2haso4.7H2OMeSH
Sodium diarsenateMeSH
Disodium arsenateMeSH
Tetrasodium diarsenateMeSH
terro Ant killerMeSH
Disodium arsenate heptahydrateMeSH
Trisodium arsenateMeSH
Chemical FormulaAsH2NaO4
Average Molecular Mass163.925 g/mol
Monoisotopic Mass163.907 g/mol
CAS Registry Number7631-89-2
IUPAC Name(sodiooxy)arsonic acid
Traditional Namesodiooxyarsonic acid
SMILESO[As](O)(=O)O[Na]
InChI IdentifierInChI=1S/AsH3O4.Na/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1
InChI KeyXCVRTGQHVBWRJB-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal arsenates. These are inorganic compounds in which the largest oxoanion is arsenate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal arsenates
Direct ParentAlkali metal arsenates
Alternative Parents
Substituents
  • Arsenate
  • Alkali metal arsenate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
  • Inorganic arsenic compound
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceColorless solid.
Experimental Properties
PropertyValue
Melting Point86.3°C
Boiling PointNot Available
Solubility267 mg/mL at 17°C [SHIU,WY et al. (1990)]
Predicted Properties
PropertyValueSource
logP-0.2ChemAxon
pKa (Strongest Acidic)3.97ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity7.92 m³·mol⁻¹ChemAxon
Polarizability8.59 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-93f3f26345b08e91c3cbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-06795745e12144d41907View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-006x-2900000000-b8e97224c93df6eef986View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-1900000000-f2af57572b959ce2d5c9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1900000000-5ec390a893130b0126e6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-1900000000-869b7e636dcf63b0e7d1View in MoNA
Toxicity Profile
Route of ExposureOral (4) ; inhalation (4); dermal (4)
Mechanism of ToxicityArsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (2, 1)
MetabolismArsenic is absorbed mainly by inhalation or ingestion, as to a lesser extent, dermal exposure. It is then distributed throughout the body, where it is reduced into arsenite if necessary, then methylated into monomethylarsenic (MMA) and dimethylarsenic acid (DMA) by arsenite methyltransferase. Arsenic and its metabolites are primarily excreted in the urine. Arsenic is known to induce the metal-binding protein metallothionein, which decreases the toxic effects of arsenic and other metals by binding them and making them biologically inactive, as well as acting as an antioxidant. (5)
Toxicity ValuesLD50: 41 mg/kg (Oral, Rat) LD50: 1-20 mg/kg (Oral, Mouse) (9)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (8)
Uses/SourcesSodium arsenate was formerly used in the treatment of chronic skin diseases, in parasitic diseases of the blood, and in some forms of anaemia (10).
Minimum Risk LevelAcute Oral: 0.005 mg/kg/day (7) Chronic Oral: 0.0003 mg/kg/day (7) Chronic Inhalation: 0.01 mg/m3 (7)
Health EffectsArsenic poisoning can lead to death from multi-system organ failure, probably from necrotic cell death, not apoptosis. Arsenic is also a known carcinogen, esepcially in skin, liver, bladder and lung cancers. (2, 5)
SymptomsExposure to lower levels of arsenic can cause nausea and vomiting, decreased production of red and white blood cells, abnormal heart rhythm, damage to blood vessels, and a sensation of burn (2).
TreatmentArsenic poisoning can be treated by chelation therapy, using chelating agents such as dimercaprol, EDTA or DMSA. Charcoal tablets may also be used for less severe cases. In addition, maintaining a diet high in sulfur helps eliminate arsenic from the body. (5)
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 LinkSodium arsenate
Chemspider IDNot Available
ChEBI ID77719
PubChem Compound ID202321
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available