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Record Information
Version1.0
Creation Date2009-03-06 18:58:38 UTC
Update Date2016-11-09 01:08:13 UTC
Accession NumberCHEM000312
Identification
Common NameCadmium arsenide
ClassSmall Molecule
DescriptionCadmium arsenide is a chemical compound of cadmium and arsenic. It is a semiconductor and is used in infrared detectors, pressure sensors, magnetoresistors, and photodetectors. Cadmium is a transition metal and chemical element with the symbol Cd and atomic number 48. It is found naturally in the earth's crust, though rarely on it's own. 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 (metalloi
Contaminant Sources
  • IARC Carcinogens Group 1
  • T3DB toxins
Contaminant Type
  • Arsenic Compound
  • Cadmium Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metal
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
SynonymsNot Available
Chemical FormulaAs2Cd3H6
Average Molecular Mass493.133 g/mol
Monoisotopic Mass497.600 g/mol
CAS Registry Number12006-15-4
IUPAC Namediarsane tricadmium
Traditional Namediarsane tricadmium
SMILES[AsH3].[AsH3].[Cd].[Cd].[Cd]
InChI IdentifierInChI=1S/2AsH3.3Cd/h2*1H3;;;
InChI KeyQXXLEXXGNDMRTB-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as trivalent inorganic arsenic compounds. These are inorganic compounds containing a trivalent arsenic atom.
KingdomInorganic compounds
Super ClassMiscellaneous inorganic compounds
ClassInorganic arsenic compounds
Sub ClassTrivalent inorganic arsenic compounds
Direct ParentTrivalent inorganic arsenic compounds
Alternative Parents
Substituents
  • Trivalent inorganic arsenic compound
  • Inorganic cadmium salt
  • Inorganic salt
  • Miscellaneous mixed metal/non-metal
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External DescriptorsNot Available
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
StateSolid
AppearanceDark grey solid.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility150 g/LALOGPS
logP-1.3ALOGPS
logP-0.23ChemAxon
logS-0.17ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.4 m³·mol⁻¹ChemAxon
Polarizability3.4 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, Positivesplash10-0002-0000900000-04e5405d0298eb2c27c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0000900000-04e5405d0298eb2c27c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-0000900000-04e5405d0298eb2c27c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0000900000-19d0dcd88512adcf5137View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0000900000-19d0dcd88512adcf5137View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-0000900000-19d0dcd88512adcf5137View in MoNA
Toxicity Profile
Route of ExposureOral (6) ; inhalation (6) ; dermal (6)
Mechanism of ToxicityCadmium initially binds to metallothionein and is transported to the kidney. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Accumulation of cadmium in the kidney results in increased excretion of vital low and high weight molecular proteins. Cadmium is a high affinity zinc analog and can interfere in its biological processes. It also binds to and activates the estrogen receptor, likely stimulating the growth of certain types of cancer cells and causing other estrogenic effects, such as reproductive dysfunction. Cadmium causes cell apoptosis by activating mitogen-activated protein kinases. 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. (5, 1, 7, 2, 3, 4)
MetabolismCadmium and arsenic may be absorbed from oral, inhalation, and dermal routes. Cadmium initially binds to metallothionein and albumin and is transported mainly to the kidney and liver. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Cadmium is not known to undergo any direct metabolic conversion and is excreted unchanged, mainly in the urine. Arsenic is 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. (6, 8)
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (11)
Uses/SourcesCadmium arsenide is a semiconductor and is used in infrared detectors, pressure sensors, magnetoresistors, and photodetectors. (13)
Minimum Risk LevelAcute Inhalation: 0.00003 mg/m3 (Cadmium) (10) Chronic Inhalation: 0.00001 mg/m3 (Cadmium) (10) Intermediate Oral: 0.0005 mg/kg/day (Cadmium) (10) Chronic Oral: 0.0001 mg/kg/day (Cadmium) (10) Acute Oral: 0.005 mg/kg/day (Arsenic) (10) Chronic Oral: 0.0003 mg/kg/day (Arsenic) (10) Chronic Inhalation: 0.01 mg/m3 (Arsenic) (10)
Health EffectsChronic exposure to cadmium fumes can cause chemical pneumonitis, pulmonary edema, and lung diseases such as bronchitis and emphysema. Cadmium also accumulates in the kidneys, causing permanent damage. Loss of bone density also occurs. 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. (5, 6, 8)
SymptomsAcute inhalation of cadmium fumes results in metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Ingestion of cadmium causes vomiting and diarrhea. 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
TreatmentCadmium poisoning is treated by removal from exposure and supportive care. If ingested, induced vomiting or gastric lavage may be performed. 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. (8, 12)
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 LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available