ContaminantDB: Arsine

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (10)XML

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:20 UTC

Update Date

2016-11-09 01:08:11 UTC

Accession Number

CHEM000205

Identification

Common Name

Arsine

Class

Small Molecule

Description

Arsine is a highly toxic gas formed when arsenic-containing materials react with hydrogen in water or acids. It is nonirritating and colorless, with a slight garlic odor. (1)

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
HPV EPA Chemicals
IARC Carcinogens Group 1
OSHA Hazardous Chemicals
T3DB toxins

Contaminant Type

Arsenic Compound
Industrial/Workplace Toxin
Inorganic Compound
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
As(3+)	ChEBI
Arsen	HMDB
Arsenic black	HMDB
Arsenic elemental	HMDB
As	HMDB
Grey arsenic	HMDB
Metallic arsenic	HMDB

Chemical Formula

AsH₃

Average Molecular Mass

77.945 g/mol

Monoisotopic Mass

77.945 g/mol

CAS Registry Number

7784-42-1

IUPAC Name

arsenic(3+) ion

Traditional Name

arsenic(3+) ion

SMILES

[AsH3]

InChI Identifier

InChI=1S/AsH3/h1H3

InChI Key

RBFQJDQYXXHULB-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous metalloid compounds

Sub Class

Not Available

Direct Parent

Homogeneous metalloid compounds

Alternative Parents

Not Available

Substituents

Homogeneous metalloid

Molecular Framework

Not Available

External Descriptors

monoatomic arsenic (CHEBI:35828 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Gas

Appearance

Colorless gas.

Experimental Properties

Property	Value
Melting Point	> 615°C
Boiling Point	−62.5 °C
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.75	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-6183cd0482f342082392	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-6183cd0482f342082392	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-6183cd0482f342082392	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-30fac8ea879bd5e34966	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-30fac8ea879bd5e34966	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-30fac8ea879bd5e34966	Spectrum

Toxicity Profile

Route of Exposure

Inhalation

Mechanism of Toxicity

Arsine enters the bloodstream and crosses the alveolo-capillary membrane into red blood cells. Here it preferentially binds to hemoglobin and is oxidized to an arsenic dihydride intermediate and elemental arsenic, both of which are hemolytic agents. Arsine also depletes the reduced glutathione content of the red blood cells, resulting in the oxidation of sulfhydryl groups in hemoglobin and red cell membranes. These effects produce membrane instability, resulting in hemolysis. Arsine may also inhibit catalase, which leads to the accumulation of hydrogen peroxide. This destroys red cell membranes and may contribute to arsine-induced conversion of Fe+2 to Fe+3, which also impairs oxygen transport. (1)

Metabolism

Arsine is gradually converted to arsenite (As3+), then methylated into monomethylarsonic and dimethylarsinic acids. It is primarily excreted in the urine. (5)

Toxicity Values

LD50: 2.5 mg/kg (Intraperitoneal, Mouse) (6) LC50: 20 ppm over 1 hour (Inhalation, Rat) (4)

Lethal Dose

3 ppm for an adult human.

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (3)

Uses/Sources

Exposure to arsine usually occurs in an industrial setting, as it is often produced as a byproduct during the smelting and refining of metals. It is also used in the manufacture of semiconductors and crystals for fiberoptics and computer chips.

Minimum Risk Level

Chronic Inhalation: 0.016 mg/m3 (2)

Health Effects

Arsine exposure causes haemolytic anaemia, polyneuropathy, hypotension, and damage to the lungs, kidneys, liver, nervous system, heart, and blood-forming organs. (1)

Symptoms

The first signs of arsine exposure are difficultly breathing, headaches, vertigo, nausea, vomiting, abdominal pain, skin discoloration, and haemoglobinuria. (1)

Treatment

There is no antidote for arsine. Treatment is symptomatic and consists of measures to support respiratory, vascular, and renal function. Whole blood transfusions may be effective if significant haemolysis has occurred. (1)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0002290

FooDB ID

FDB003763

Phenol Explorer ID

Not Available

KNApSAcK ID