Tmic
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Record Information
Version1.0
Creation Date2009-03-06 18:58:26 UTC
Update Date2016-11-09 01:08:12 UTC
Accession NumberCHEM000235
Identification
Common NameArsenic trichloride
ClassSmall Molecule
DescriptionArsenic trichloride is a chloride of arsenic prepared by the treatment of arsenic(III) oxide with concentrated hydrochloric acid, followed by distillation. It is used in preparation of many chloroderivatives of arsenic that have pharmaceutical and insecticide applications. 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. (3, 9)
Contaminant Sources
  • Clean Air Act Chemicals
  • IARC Carcinogens Group 1
  • T3DB toxins
Contaminant Type
  • Arsenic Compound
  • Inorganic Compound
  • Pesticide
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
Arsenic butterChEBI
Arsenic chlorideChEBI
Arsenic(III) chlorideChEBI
Arsenic(III) trichlorideChEBI
Arsenious chlorideChEBI
Arsenous trichlorideChEBI
AsCl3ChEBI
Butter OF arsenicChEBI
Caustic arsenic chlorideChEBI
Caustic oil OF arsenicChEBI
Chlorure arsenieuxChEBI
Chlorure d'arsenicChEBI
TrichloroarsineChEBI
Trichlorure d'arsenicChEBI
Chemical FormulaAsCl3
Average Molecular Mass181.281 g/mol
Monoisotopic Mass179.828 g/mol
CAS Registry Number7784-34-1
IUPAC Nametrichloroarsane
Traditional Namearsenic trichloride
SMILESCl[As](Cl)Cl
InChI IdentifierInChI=1S/AsCl3/c2-1(3)4
InChI KeyOEYOHULQRFXULB-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as metalloid chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a metalloid.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMetalloid salts
Sub ClassMetalloid chlorides
Direct ParentMetalloid chlorides
Alternative Parents
Substituents
  • Metalloid chloride
  • Trivalent inorganic arsenic compound
  • Inorganic salt
  • Inorganic arsenic compound
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 Roles
Chemical RolesNot Available
Physical Properties
StateLiquid
AppearanceColourless liquid (9).
Experimental Properties
PropertyValue
Melting Point-16°C
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP1.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity18.41 m³·mol⁻¹ChemAxon
Polarizability10.57 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, Positivesplash10-001i-0900000000-4d22324b409e59bbd6f2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-4d22324b409e59bbd6f2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0900000000-4d22324b409e59bbd6f2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-78512a8a9683d2a647ffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-78512a8a9683d2a647ffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-78512a8a9683d2a647ffView in MoNA
Toxicity Profile
Route of ExposureOral (4) ; inhalation (4); dermal (4)
Mechanism of ToxicityArsenic 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. (2, 1)
MetabolismArsenic 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 ValuesLD50: 145 mg/kg (Oral, Mouse) (10)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)1, carcinogenic to humans. (8)
Uses/SourcesArsenic trichloride is used in ceramics, organic chemical syntheses, and in the preparation of pharmaceuticals. (9)
Minimum Risk LevelAcute Oral: 0.005 mg/kg/day (7) Chronic Oral: 0.0003 mg/kg/day (7) Chronic Inhalation: 0.01 mg/m3 (7)
Health EffectsArsenic 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. (2, 5)
SymptomsExposure 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 burn (2).
TreatmentArsenic 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
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 LinkArsenic_trichloride
Chemspider IDNot Available
ChEBI ID63952
PubChem Compound ID24570
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=19071824
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=20306073
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=4475013
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=936786