Thallium
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Basic Info
| Common Name | Thallium(F05174) |
| 2D Structure | |
| Description | Thallium is a chemical element with symbol Tl and atomic number 81. This soft gray post-transition metal is not found free in nature. When isolated, it resembles tin, but discolors when exposed to air. Thallium tends to oxidize to the +3 and +1 oxidation states as ionic salts. The +3 state resembles that of the other elements in thallium's group (boron, aluminum, gallium, indium). However, the +1 state, which is far more prominent in thallium than the elements above it, recalls the chemistry of alkali metals, and thallium(I) ions are found geologically mostly in potassium-based ores, and (when ingested) are handled in many ways like potassium ions (K+) by ion pumps in living cells. Thallium and its compounds are extremely toxic, and should be handled with great care. There are numerous recorded cases of fatal thallium poisoning. Contact with skin is dangerous, and adequate ventilation should be provided when melting this metal. |
| FRCD ID | F05174 |
| CAS Number | 7440-28-0 |
| PubChem CID | 24642 |
| Formula | ClTl |
| IUPAC Name | chlorothallium |
| InChI Key | GBECUEIQVRDUKB-UHFFFAOYSA-M |
| InChI | InChI=1S/ClH.Tl/h1H;/q;+1/p-1 |
| Canonical SMILES | Cl[Tl] |
| Isomeric SMILES | Cl[Tl] |
| Wikipedia | Thallium |
| Synonyms |
Thallium(1+) chloride
Thallium chloride
Thallium(I) chloride
THALLOUS CHLORIDE
Thallium monochloride
7791-12-0
TlCl
Thallium chloride (TlCl)
Thallium chloride (VAN)
RCRA waste number U216
|
| Classifies |
Pollutant
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Mixed metal/non-metal compounds |
| Class | Post-transition metal salts |
| Subclass | Post-transition metal chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Post-transition metal chlorides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Post-transition metal chloride - Inorganic chloride salt - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as post-transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a post-transition metal. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 239.83 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 2 |
| Monoisotopic Mass | 239.943 |
| Exact Mass | 239.943 |
| Formal Charge | 0 |
| Heavy Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9780 |
| Human Intestinal Absorption | HIA+ | 0.9959 |
| Caco-2 Permeability | Caco2+ | 0.6225 |
| P-glycoprotein Substrate | Non-substrate | 0.9026 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9760 |
| Non-inhibitor | 0.9927 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9131 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.4482 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8201 |
| CYP450 2D6 Substrate | Non-substrate | 0.7468 |
| CYP450 3A4 Substrate | Non-substrate | 0.7415 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.6242 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.7640 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8965 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.7474 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9013 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8758 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9362 |
| Non-inhibitor | 0.9644 | |
| AMES Toxicity | Non AMES toxic | 0.7982 |
| Carcinogens | Carcinogens | 0.7969 |
| Fish Toxicity | High FHMT | 0.5973 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.7430 |
| Honey Bee Toxicity | High HBT | 0.8005 |
| Biodegradation | Not ready biodegradable | 0.5146 |
| Acute Oral Toxicity | III | 0.7507 |
| Carcinogenicity (Three-class) | Non-required | 0.5175 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.6647 | LogS |
| Caco-2 Permeability | 1.4734 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.2792 | LD50, mol/kg |
| Fish Toxicity | 0.9429 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.2677 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Establishing a quick screening method by using a microfluidic chip to evaluate cytotoxicity of metal contaminants. | Sci Total Environ | 2019 Feb 15 | 30266051 |
| Distribution, fractions, and potential release of thallium in acidic soils nearby a waste copper mining site from southern China. | Environ Sci Pollut Res Int | 2018 Jun | 29687196 |
| Microcolumn-based speciation analysis of thallium in soil and green cabbage. | Sci Total Environ | 2018 Jul 15 | 29477112 |
| Heavy metal contamination of prenatal vitamins. | Toxicol Rep | 2018 | 29854609 |
| Environmental Toxin Screening Using Human-Derived 3D Bioengineered Liver and Cardiac Organoids. | Front Public Health | 2018 | 29755963 |
| Neonatal exposure to environmental pollutants and placental mitochondrial DNA content: A multi-pollutant approach. | Environ Int | 2017 Sep | 28600986 |
| Thallium contamination in arable soils and vegetables around a steel plant-A newly-found significant source of Tl pollution in South China. | Environ Pollut | 2017 May | 28233568 |
| Toxic elements and associations with hematology, plasma biochemistry, and protein electrophoresis in nesting loggerhead sea turtles (Caretta caretta) from Casey Key, Florida. | Environ Pollut | 2017 Dec | 28939125 |
| [Monitoring plan of environmental contaminants in sheep milk from areas next to an Italian contaminated site named «Aree industriali di Porto Torres e discarica di Calancoi» (Industrial areas of Porto Torres and landfill of Calancoi) in Sardinia Region (Southern Italy)]. | Epidemiol Prev | 2016 Nov-Dec | 27919152 |
| Presence of thallium in the environment: sources of contaminations, distribution and monitoring methods. | Environ Monit Assess | 2016 Nov | 27783348 |
| The heron that laid the golden egg: metals and metalloids in ibis, darter, cormorant, heron, and egret eggs from the Vaal River catchment, South Africa. | Environ Monit Assess | 2016 Jun | 27230424 |
| Evaluated the Twenty-Six Elements in the Pectoral Muscle of As-Treated Chicken by Inductively Coupled Plasma Mass Spectrometry. | Biol Trace Elem Res | 2016 Feb | 26123164 |
| Essential and toxic elements in meat of wild birds. | J Toxicol Environ Health A | 2016 | 27599146 |
| Comparison of Chemical Sensitivity of Fresh and Long-Stored Heat Resistant Neosartorya fischeri Environmental Isolates Using BIOLOG Phenotype MicroArray System. | PLoS One | 2016 | 26815302 |
| Chronic exposure to aluminum, nickel, thallium and uranium and their relationship with essential elements in human whole blood and blood serum. | J Environ Sci Health A Tox Hazard Subst Environ Eng | 2015 | 25837556 |
| Spatial clustering of toxic trace elements in adolescents around the Torreón, Mexico lead-zinc smelter. | J Expo Sci Environ Epidemiol | 2014 Nov | 24549228 |
| Essential, trace and toxic element concentrations in the liver of the world's largest bony fish, the ocean sunfish (Mola mola). | Mar Pollut Bull | 2014 Feb 15 | 24341944 |
| Assessment of exposure to trace metals in a cohort of pregnant women from an urban center by urine analysis in the first and third trimesters of pregnancy. | Environ Sci Pollut Res Int | 2014 | 24710728 |
| Toxic and micronutrient elements in organic, brown and polished rice in Brazil. | Food Addit Contam Part B Surveill | 2014 | 24779984 |
| Application of Zeeman graphite furnace atomic absorption spectrometry with high-frequency modulation polarization for the direct determination of aluminum, beryllium, cadmium, chromium, mercury, manganese, nickel, lead, and thallium in human blood. | Arch Environ Contam Toxicol | 2012 Oct | 22868581 |
Targets
- General Function:
- Succinate dehydrogenase activity
- Specific Function:
- Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
- Gene Name:
- SDHC
- Uniprot ID:
- Q99643
- Molecular Weight:
- 18610.03 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Ribonuclease inhibitor activity
- Specific Function:
- Antagonizes the binding of 2-5A (5'-phosphorylated 2',5'-linked oligoadenylates) by RNase L through direct interaction with RNase L and therefore inhibits its endoribonuclease activity. May play a central role in the regulation of mRNA turnover. Antagonizes the anti-viral effect of the interferon-regulated 2-5A/RNase L pathway. May act as a chaperone for post-translational events during HIV-1 capsid assembly.
- Gene Name:
- ABCE1
- Uniprot ID:
- P61221
- Molecular Weight:
- 67313.73 Da
- General Function:
- Iron ion binding
- Specific Function:
- Participates in the synthesis of thyroid hormones. Essential for the synthesis of various steroid hormones, participates in the reduction of mitochondrial cytochrome P450 for steroidogenesis. Transfers electrons from adrenodoxin reductase to CYP11A1, a cytochrome P450 that catalyzes cholesterol side-chain cleavage.
- Gene Name:
- FDX1
- Uniprot ID:
- P10109
- Molecular Weight:
- 19392.475 Da
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- Connects the two COX monomers into the physiological dimeric form.
- Gene Name:
- COX6B1
- Uniprot ID:
- P14854
- Molecular Weight:
- 10192.345 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX7A1
- Uniprot ID:
- P24310
- Molecular Weight:
- 9117.44 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX6A2
- Uniprot ID:
- Q02221
- Molecular Weight:
- 10815.32 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX4I1
- Uniprot ID:
- P13073
- Molecular Weight:
- 19576.6 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Metal ion binding
- Specific Function:
- This is the heme A-containing chain of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX5A
- Uniprot ID:
- P20674
- Molecular Weight:
- 16761.985 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Metal ion binding
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX5B
- Uniprot ID:
- P10606
- Molecular Weight:
- 13695.57 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX7C
- Uniprot ID:
- P15954
- Molecular Weight:
- 7245.45 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX8A
- Uniprot ID:
- P10176
- Molecular Weight:
- 7579.0 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Ubiquinone binding
- Specific Function:
- Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
- Gene Name:
- SDHD
- Uniprot ID:
- O14521
- Molecular Weight:
- 17042.82 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Succinate dehydrogenase activity
- Specific Function:
- Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). Can act as a tumor suppressor.
- Gene Name:
- SDHA
- Uniprot ID:
- P31040
- Molecular Weight:
- 72690.975 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Ubiquinone binding
- Specific Function:
- Iron-sulfur protein (IP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
- Gene Name:
- SDHB
- Uniprot ID:
- P21912
- Molecular Weight:
- 31629.365 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Xanthine dehydrogenase activity
- Specific Function:
- Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide and N-methylphthalazinium, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a key role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. May be a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also may catalyze nitric oxide (NO) production via the reduction of nitrite to NO with NADH or aldehyde as electron donor. May play a role in adipogenesis.
- Gene Name:
- AOX1
- Uniprot ID:
- Q06278
- Molecular Weight:
- 147916.735 Da
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
- Gene Name:
- COX4I2
- Uniprot ID:
- Q96KJ9
- Molecular Weight:
- 20010.02 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Protein homodimerization activity
- Specific Function:
- Involved in pyrimidine base degradation. Catalyzes the reduction of uracil and thymine. Also involved the degradation of the chemotherapeutic drug 5-fluorouracil.
- Gene Name:
- DPYD
- Uniprot ID:
- Q12882
- Molecular Weight:
- 111400.32 Da
- General Function:
- Succinate dehydrogenase (ubiquinone) activity
- Specific Function:
- Two distinct, membrane-bound, FAD-containing enzymes are responsible for the catalysis of fumarate and succinate interconversion; the fumarate reductase is used in anaerobic growth, and the succinate dehydrogenase is used in aerobic growth.
- Gene Name:
- sdhB
- Uniprot ID:
- P07014
- Molecular Weight:
- 26769.545 Da
- General Function:
- Xanthine oxidase activity
- Specific Function:
- Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
- Gene Name:
- XDH
- Uniprot ID:
- P47989
- Molecular Weight:
- 146422.99 Da
- General Function:
- Cytochrome-c oxidase activity
- Specific Function:
- This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport. Plays a role in proper central nervous system (CNS) development in vertebrates.
- Gene Name:
- COX7B
- Uniprot ID:
- P24311
- Molecular Weight:
- 9160.485 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Nadh dehydrogenase (ubiquinone) activity
- Specific Function:
- Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity). This is the largest subunit of complex I and it is a component of the iron-sulfur (IP) fragment of the enzyme. It may form part of the active site crevice where NADH is oxidized.
- Gene Name:
- NDUFS1
- Uniprot ID:
- P28331
- Molecular Weight:
- 79466.77 Da
References
- Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
- General Function:
- Nadh dehydrogenase (ubiquinone) activity
- Specific Function:
- Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity). May donate electrons to ubiquinone.
- Gene Name:
- NDUFS8
- Uniprot ID:
- O00217
- Molecular Weight:
- 23704.795 Da