Record Information
Version1.0
Creation Date2016-05-20 16:19:09 UTC
Update Date2016-11-09 01:15:21 UTC
Accession NumberCHEM016211
Identification
Common NameArsenic trioxide (diarsenic trioxide)
ClassSmall Molecule
Description
Contaminant Sources
  • ECHA Carcinogen
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
As(3+)ChEBI
ArsenHMDB
Arsenic blackHMDB
Arsenic elementalHMDB
AsHMDB
Grey arsenicHMDB
Metallic arsenicHMDB
Chemical FormulaAsH3
Average Molecular Mass77.945 g/mol
Monoisotopic Mass77.945 g/mol
CAS Registry Number215-481-4
IUPAC Namearsenic(3+) ion
Traditional Namearsenic(3+) ion
SMILES[AsH3]
InChI IdentifierInChI=1S/AsH3/h1H3
InChI KeyRBFQJDQYXXHULB-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
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot 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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-6183cd0482f342082392Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-6183cd0482f342082392Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-6183cd0482f342082392Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-30fac8ea879bd5e34966Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-30fac8ea879bd5e34966Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-30fac8ea879bd5e34966Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0002290
FooDB IDFDB003763
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkArsenic
Chemspider ID94549
ChEBI ID35828
PubChem Compound ID104734
Kegg Compound IDC06269
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Tanmoy Rana et al. Contribution of arsenic from agricultural food chain to cow milk in highly arsenic prone zone in Nadia District of West Bengal in India.The Internet Journal of Veterinary Medicine Vol 4(2)
2. A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation)
3. Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123
4. Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. 2005. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Pol. J. Environ. Stud. 14(5):685–689
5. Anetor JI, Wanibuchi H, Fukushima S: Arsenic exposure and its health effects and risk of cancer in developing countries: micronutrients as host defence. Asian Pac J Cancer Prev. 2007 Jan-Mar;8(1):13-23.
6. Jones FT: A broad view of arsenic. Poult Sci. 2007 Jan;86(1):2-14.