Arsine (T3D0234)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (10)XML
Targets (10)
Record Information
Version2.0
Creation Date2009-03-06 18:58:20 UTC
Update Date2014-12-24 20:21:23 UTC
Accession NumberT3D0234
Identification
Common NameArsine
ClassSmall Molecule
DescriptionArsine 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. (3)
Compound Type
  • Arsenic Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Arsane
Arsenic trihydrie
Arseniuretted hydrogen
Arsenous hydride
AsH3
Hydrogen arsenide
Trihydridoarsenic
Chemical FormulaAsH3
Average Molecular Mass77.945 g/mol
Monoisotopic Mass77.945 g/mol
CAS Registry Number7784-42-1
IUPAC Namearsenic(3+) ion
Traditional Namearsenic(3+) ion
SMILES[AsH3]
InChI IdentifierInChI=1S/AsH3/h1H3
InChI KeyInChIKey=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.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous metalloid compounds
Sub ClassNot Available
Direct ParentHomogeneous metalloid compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous metalloid
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 RolesNot Available
Chemical RolesNot Available
Physical Properties
StateGas
AppearanceColorless gas.
Experimental Properties
PropertyValue
Melting Point> 615°C
Boiling Point−62.5 °C
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
logP0.75ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-6183cd0482f3420823922016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-6183cd0482f3420823922016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-6183cd0482f3420823922016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-30fac8ea879bd5e349662016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-30fac8ea879bd5e349662016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-30fac8ea879bd5e349662016-08-03View Spectrum
Toxicity Profile
Route of ExposureInhalation
Mechanism of ToxicityArsine 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. (3)
MetabolismArsine is gradually converted to arsenite (As3+), then methylated into monomethylarsonic and dimethylarsinic acids. It is primarily excreted in the urine. (1)
Toxicity ValuesLD50: 2.5 mg/kg (Intraperitoneal, Mouse) (2) LC50: 20 ppm over 1 hour (Inhalation, Rat) (5)
Lethal Dose3 ppm for an adult human.
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (4)
Uses/SourcesExposure 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 LevelChronic Inhalation: 0.016 mg/m3 (6)
Health EffectsArsine exposure causes haemolytic anaemia, polyneuropathy, hypotension, and damage to the lungs, kidneys, liver, nervous system, heart, and blood-forming organs. (3)
SymptomsThe first signs of arsine exposure are difficultly breathing, headaches, vertigo, nausea, vomiting, abdominal pain, skin discoloration, and haemoglobinuria. (3)
TreatmentThere 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. (3)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID5359596
ChEMBL IDNot Available
ChemSpider IDNot Available
KEGG IDC06269
UniProt IDNot Available
OMIM ID
ChEBI ID47217
BioCyc IDCPD-763
CTD IDC006633
Stitch IDArsine
PDB IDNot Available
ACToR ID6368
Wikipedia LinkArsenic
References
Synthesis ReferenceNot Available
MSDST3D0234.pdf
General References
  1. Clayton GD and Clayton FE (eds) (1993-1994). Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc.
  2. IARC (1983). Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Man. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-Present. (Multivolume work).
  3. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  4. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
  5. Scott Specialty Gases (2007). Material Safety Data Sheet for Arsine. [Link]
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

Target Details
1. Catalase
General Function:
Receptor binding
Specific Function:
Occurs in almost all aerobically respiring organisms and serves to protect cells from the toxic effects of hydrogen peroxide. Promotes growth of cells including T-cells, B-cells, myeloid leukemia cells, melanoma cells, mastocytoma cells and normal and transformed fibroblast cells.
Gene Name:
CAT
Uniprot ID:
P04040
Molecular Weight:
59755.82 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
2. Hemoglobin subunit alpha
General Function:
Oxygen transporter activity
Specific Function:
Involved in oxygen transport from the lung to the various peripheral tissues.
Gene Name:
HBA1
Uniprot ID:
P69905
Molecular Weight:
15257.405 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
3. Hemoglobin subunit beta
General Function:
Oxygen transporter activity
Specific Function:
Involved in oxygen transport from the lung to the various peripheral tissues.LVV-hemorphin-7 potentiates the activity of bradykinin, causing a decrease in blood pressure.Spinorphin: functions as an endogenous inhibitor of enkephalin-degrading enzymes such as DPP3, and as a selective antagonist of the P2RX3 receptor which is involved in pain signaling, these properties implicate it as a regulator of pain and inflammation.
Gene Name:
HBB
Uniprot ID:
P68871
Molecular Weight:
15998.34 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
4. Hemoglobin subunit delta
General Function:
Oxygen transporter activity
Specific Function:
Involved in oxygen transport from the lung to the various peripheral tissues.
Gene Name:
HBD
Uniprot ID:
P02042
Molecular Weight:
16055.41 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
5. Hemoglobin subunit epsilon
General Function:
Oxygen transporter activity
Specific Function:
The epsilon chain is a beta-type chain of early mammalian embryonic hemoglobin.
Gene Name:
HBE1
Uniprot ID:
P02100
Molecular Weight:
16202.71 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
6. Hemoglobin subunit gamma-1
General Function:
Oxygen transporter activity
Specific Function:
Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
Gene Name:
HBG1
Uniprot ID:
P69891
Molecular Weight:
16140.37 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
7. Hemoglobin subunit gamma-2
General Function:
Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
Specific Function:
Heme binding
Gene Name:
HBG2
Uniprot ID:
P69892
Molecular Weight:
16126.35 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
8. Hemoglobin subunit mu
General Function:
Oxygen transporter activity
Specific Function:
Not Available
Gene Name:
HBM
Uniprot ID:
Q6B0K9
Molecular Weight:
15617.97 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
9. Hemoglobin subunit theta-1
General Function:
Oxygen transporter activity
Specific Function:
Not Available
Gene Name:
HBQ1
Uniprot ID:
P09105
Molecular Weight:
15507.575 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Target Details
10. Hemoglobin subunit zeta
General Function:
Oxygen transporter activity
Specific Function:
The zeta chain is an alpha-type chain of mammalian embryonic hemoglobin.
Gene Name:
HBZ
Uniprot ID:
P02008
Molecular Weight:
15636.845 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2007). Medical Management Guidelines for Arsine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]