ContaminantDB: Arsenic acid

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (44)XML

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:26 UTC

Update Date

2026-04-05 18:11:32 UTC

Accession Number

CHEM000237

Identification

Common Name

Arsenic acid

Class

Small Molecule

Description

Arsenenic acid is an arsenic compound closely related to arsenous 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. (11)

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
T3DB toxins

Contaminant Type

Arsenic Compound
Food Toxin
Industrial/Workplace Toxin
Inorganic Compound
Metabolite
Natural Compound
Pesticide
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[AsO(OH)3]	ChEBI
Arsoric acid	ChEBI
H3AsO4	ChEBI
Orthoarsenic acid	ChEBI
Arsate	Generator
Arsic acid	Generator
Orthoarsenate	Generator
Arsenic acid	Generator
Arsenate ion	HMDB
Arsenate ions	HMDB
Arsenate(3-)	HMDB
Arsorate	HMDB
ART	HMDB
Tetraoxidoarsenate(3-)	HMDB
Tetraoxoarsenate(3-)	HMDB
Tetraoxoarsenate(V)	HMDB
Metaarsenic acid	MeSH, HMDB
Orthoarsenic acid, dihydrate	MeSH, HMDB
Pyroarsenic acid	MeSH, HMDB
Arsenate	Generator

Chemical Formula

AsH₃O₄

Average Molecular Mass

141.943 g/mol

Monoisotopic Mass

141.925 g/mol

CAS Registry Number

15584-04-0

IUPAC Name

Not Available

Traditional Name

arsenic acid

SMILES

O[As](O)(O)=O

InChI Identifier

InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)

InChI Key

DJHGAFSJWGLOIV-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as miscellaneous arsenates. These are inorganic compounds in which the largest metallic oxoanion is arsenate, to which either no atom or a non metal atom is bonded.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Miscellaneous mixed metal/non-metals

Sub Class

Miscellaneous metallic oxoanionic compounds

Direct Parent

Miscellaneous arsenates

Alternative Parents

Substituents

Arsenate
Inorganic oxide
Inorganic salt
Inorganic metalloid salt
Inorganic arsenic compound

Molecular Framework

Not Available

External Descriptors

arsenic oxoacid (CHEBI:18231 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Acrosome
Cell surface
Cytoplasm
Cytosol
Endocytic Vesicle
Endoplasmic reticulum
Endosome
Extracellular
Microsome
Mitochondria
Mitochondrial Matrix
Mitochondrial Membrane
Nuclear Membrane
Nucleolus
Peroxisome
Plasma Membrane
Ribosome
Soluble Fraction
Tubulin

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Apoptosis	Not Available	map04210
Cell cycle	Not Available	map04110
Proteasome	Not Available	Not Available
Nucleotide Excision Repair	SMP00478	map03420
Oxidative phosphorylation	Not Available	map00190
Arachidonic Acid Metabolism	SMP00075	map00590
Insulin secretion	Not Available	map04911
Glutamate Metabolism	SMP00072	map00250
Base excision repair	Not Available	map03410
Ubiquitin mediated proteolysis	Not Available	map04120
Sulfur metabolism	Not Available	map00920
Endocytosis	Not Available	map04144
Dna replication	Not Available	map03030
Circadian rhythm	Not Available	map04710
Carbon Metabolism	Not Available	Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White crystals.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	465°C
Solubility	590 mg/mL [SHIU,WY et al. (1990)]

Predicted Properties

Property	Value	Source
logP	-1.2	ChemAxon
pKa (Strongest Acidic)	3.15	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	9.14 m³·mol⁻¹	ChemAxon
Polarizability	7.07 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00dl-0900000000-0bf57018ef75d93c7ef9	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-5ca961b72dc240c15e90	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0900000000-9f9d45f54cae7c18d6d6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-1900000000-4e2cd225d3f37d0bf140	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-4dea009911cb3f4371c9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-1900000000-9bc9e4e3396a1ba0f3e4	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-0900000000-5fa1856d78a4a52febc9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-006x-0900000000-c75179459a179f511194	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-006x-0900000000-bc3a4c3c71d7d94ab41f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00di-0900000000-7cba2bc739b490df9886	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-20a45e765f06b45fb030	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-006x-0900000000-90f7b12c0179ec857558	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-0900000000-285a424038c45e6477a5	Spectrum

Toxicity Profile

Route of Exposure

Oral (4) ; inhalation (4); dermal (4)

Mechanism of Toxicity

Arsenic 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. (10, 3)

Metabolism

Arsenic 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 Values

The LD50 in rabbits is 6 mg/kg (0.006 g/kg). LD50: 48 mg/kg (Oral, Rat) (12). LD50: 8 mg/kg (Intravenous, Rabbit)

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (8)

Uses/Sources

It is found free in nature, but it is more commonly found as a compound with other elements. (11) Commercial applications of arsenic acid are limited by its toxicity. It has found occasional use as a wood preservative, broad-spectrum biocide, a finishing agent for glass and metal, and a reagent in the synthesis of some dyestuffs and organic arsenic compounds. (9)

Minimum Risk Level

Acute Oral: 0.005 mg/kg/day (7) Chronic Oral: 0.0003 mg/kg/day (7) Chronic Inhalation: 0.01 mg/m3 (7)

Health Effects

Arsenic 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. (10, 5)

Symptoms

Exposure 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

Treatment

Arsenic 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

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0012190

FooDB ID

FDB028842

Phenol Explorer ID

Not Available

KNApSAcK ID