Mercury Compounds
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Basic Info
| Common Name | Mercury Compounds(F06145) |
| 2D Structure | |
| FRCD ID | F06145 |
| CAS Number | 7439-97-6 |
| PubChem CID | 23931 |
| Formula | Hg |
| IUPAC Name | mercury |
| InChI Key | QSHDDOUJBYECFT-UHFFFAOYSA-N |
| InChI | InChI=1S/Hg |
| Canonical SMILES | [Hg] |
| Isomeric SMILES | [Hg] |
| Synonyms |
Liquid silver
Mercury
Hydrargyrum
Quicksilver
Metallic mercury
7439-97-6
Mercurio
Quecksilber
Mercure
Quick silver
|
| Classifies |
Pollutant
Veterinary Drug
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous metal compounds |
| Class | Homogeneous transition metal compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous transition metal compounds |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Homogeneous transition metal - Inorganic mercury compound |
| Description | This compound belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 200.592 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 201.971 |
| Exact Mass | 201.971 |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| 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+ | 0.9733 |
| Human Intestinal Absorption | HIA+ | 0.9838 |
| Caco-2 Permeability | Caco2+ | 0.7354 |
| P-glycoprotein Substrate | Non-substrate | 0.8810 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9787 |
| Non-inhibitor | 0.9858 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9110 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5856 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8466 |
| CYP450 2D6 Substrate | Non-substrate | 0.8259 |
| CYP450 3A4 Substrate | Non-substrate | 0.8158 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8584 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9241 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9638 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9452 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9834 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8820 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9547 |
| Non-inhibitor | 0.9746 | |
| AMES Toxicity | Non AMES toxic | 0.9633 |
| Carcinogens | Carcinogens | 0.6621 |
| Fish Toxicity | Low FHMT | 0.6181 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.6631 |
| Honey Bee Toxicity | High HBT | 0.8277 |
| Biodegradation | Ready biodegradable | 0.7326 |
| Acute Oral Toxicity | III | 0.5846 |
| Carcinogenicity (Three-class) | Warning | 0.4769 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.0958 | LogS |
| Caco-2 Permeability | 1.6017 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.0135 | LD50, mol/kg |
| Fish Toxicity | 1.5413 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.7156 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Milk & Dairy Produce | Britain | 0.01mg/kg | |||
| Meat, Fat & Preparations Of Meat | Britain | 0.01mg/kg | |||
| Other Cereals Do Not Include Rice | Britain | 0.01mg/kg | |||
| Rice | Britain | 0.01mg/kg | |||
| Millet | Britain | 0.01mg/kg | |||
| Buckwheat | Britain | 0.01mg/kg | |||
| Maize | Britain | 0.01mg/kg | |||
| Triticale | Britain | 0.01mg/kg | |||
| Oats | Britain | 0.01mg/kg | |||
| Sorghum | Britain | 0.01mg/kg | |||
| Barley | Britain | 0.01mg/kg | |||
| Rye | Britain | 0.01mg/kg | |||
| Wheat | Britain | 0.01mg/kg | |||
| Hop | Britain | 0.02mg/kg | |||
| Tea | Britain | 0.02mg/kg | |||
| Ware Potatoes | Britain | 0.01mg/kg | |||
| Early Potatoes | Britain | 0.01mg/kg | |||
| Other Oilseeds | Britain | 0.02mg/kg | |||
| Hemp Seed | Britain | 0.02mg/kg | |||
| Cotton Seed | Britain | 0.02mg/kg |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Dietary heavy metal exposure of Finnish children of 3 to 6 years. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018Jul | 29843572 |
| Simultaneous detection and determination of mercury (II) and lead (II) ionsthrough the achievement of novel functional nucleic acid-based biosensors. | Biosens Bioelectron | 2018 Sep 30 | 29879539 |
| Concentration of heavy metals in seafood (fishes, shrimp, lobster and crabs) and human health assessment in Saint Martin Island, Bangladesh. | Ecotoxicol Environ Saf | 2018 Sep 15 | 29747150 |
| Drivers of the accumulation of mercury and organochlorine pollutants inMediterranean lean fish and dietary significance. | Sci Total Environ | 2018 Sep 1 | 29627539 |
| Determinants of mercury contamination in viperine snakes, Natrix maura, inWestern Europe. | Sci Total Environ | 2018 Sep 1 | 29660722 |
| Organic cattle products: Authenticating production origin by analysis of serummineral content. | Food Chem | 2018 Oct 30 | 29853367 |
| Unusually high Deca-BDE concentrations and new flame retardants in a CanadianArctic top predator, the glaucous gull. | Sci Total Environ | 2018 Oct 15 | 29929336 |
| Evidence-based logic chains demonstrate multiple impacts of trace metals onecosystem services. | J Environ Manage | 2018 Oct 1 | 29929071 |
| Selenium and drinking water quality indicators in Mongolia. | Environ Sci Pollut Res Int | 2018 Oct | 30094669 |
| Risk assessment for potentially toxic metal(loid)s in potatoes in the indigenous zinc smelting area of northwestern Guizhou Province, China. | Food Chem Toxicol | 2018 Oct | 30016697 |
| The bivalve Ruditapes decussatus: A biomonitor of trace elements pollution in Sardinian coastal lagoons (Italy). | Environ Pollut | 2018 Nov | 30064872 |
| Risk assessment of mercury and lead in fish species from Iranian internationalwetlands. | MethodsX | 2018 May 5 | 30065913 |
| Arsenic and Other Elemental Concentrations in Mushrooms from Bangladesh: HealthRisks. | Int J Environ Res Public Health | 2018 May 4 | 29734714 |
| Trace elements in Polytrichum commune and Polytrichastrum formosum from theKarkonosze Mountains (SW Poland). | Ecotoxicol Environ Saf | 2018 May 30 | 29407732 |
| Effects of mine tailing and mixed contamination on metals, trace elementsaccumulation and histopathology of the chub (Squalius cephalus) tissues: Evidencefrom three differently contaminated sites in Serbia. | Ecotoxicol Environ Saf | 2018 May 30 | 29454232 |
| Fish as a bioindicator of heavy metals pollution in aquatic ecosystem of Pluszne Lake, Poland, and risk assessment for consumer's health. | Ecotoxicol Environ Saf | 2018 May 30 | 29407739 |
| Assessment of metal levels in foodstuffs from the Region of Valencia (Spain). | Toxicol Rep | 2018 May 21 | 30003045 |
| In vitro evaluation of dietary compounds to reduce mercury bioavailability. | Food Chem | 2018 May 15 | 29329865 |
| Environmental Exposure of Children to Toxic Trace Elements (Hg, Cr, As) in an Urban Area of Yucatan, Mexico: Water, Blood, and Urine Levels. | Bull Environ Contam Toxicol | 2018 May | 29508017 |
| Quantitative estimation of mercury intake by toxicokinetic modelling based on total mercury levels in humans. | Environ Int | 2018 May | 29455008 |