Uranium hexafluoride (T3D1164)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (1)XML
Targets (1)
Record Information
Version2.0
Creation Date2009-06-19 21:58:23 UTC
Update Date2014-12-24 20:23:15 UTC
Accession NumberT3D1164
Identification
Common NameUranium hexafluoride
ClassSmall Molecule
DescriptionUranium hexafluoride is a fluoride of uranium. It is used for fuel in nuclear reactors and nuclear weapons. Uranium is a chemical element that has the symbol U and atomic number 92. It is a normal part of rocks, soil, air, and water, and occurs in nature in the form of minerals. (4, 5, 6)
Compound Type
  • Fluoride Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Pollutant
  • Radioactive
  • Synthetic Compound
  • Uranium Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Hexafluoridouranium
Hexafluorouranium
Uranium fluoride
uranium(6+) fluoride
[UF6]
Chemical FormulaF6U
Average Molecular Mass352.019 g/mol
Monoisotopic Mass352.041 g/mol
CAS Registry Number7783-81-5
IUPAC Namehexafluorouranium
Traditional Nameuranium hexafluoride
SMILESF[U](F)(F)(F)(F)F
InChI IdentifierInChI=1S/6FH.U/h6*1H;/q;;;;;;+6/p-6
InChI KeyInChIKey=SANRKQGLYCLAFE-UHFFFAOYSA-H
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as actinide fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is an actinide.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassActinide salts
Sub ClassActinide fluorides
Direct ParentActinide fluorides
Alternative Parents
Substituents
  • Actinide fluoride
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceColorless solid.
Experimental Properties
PropertyValue
Melting Point64.8°C (triple point)
Boiling Point56.5°C
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
logP2.06ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.01 m³·mol⁻¹ChemAxon
Polarizability4.64 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0009000000-99c4b9154a864bcd05912016-08-02View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0009000000-99c4b9154a864bcd05912016-08-02View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-0009000000-99c4b9154a864bcd05912016-08-02View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0009000000-06c88ef98fc6d3e81dc62016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0009000000-06c88ef98fc6d3e81dc62016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-0009000000-06c88ef98fc6d3e81dc62016-08-03View Spectrum
Toxicity Profile
Route of ExposureOral (5) ; inhalation (5) ; dermal (5)
Mechanism of ToxicityUranium is combined with either bicarbonate or a plasma protein in the blood but once in the kidney, it is released and forms complexes with phosphate ligands and proteins in the tubular wall, causing damage. Uranium may also inhibit both sodium transport-dependent and independent ATP utilization and mitochondrial oxidative phosphorylation in the renal proximal tubule. Uranium causes respiratory diseases by damaging alveolar epithelium type II cells in the lungs. Uranium induces c-Jun N-terminal kinase (JNK) and p38 mitogen-activated protein kinase (p38 MAPK) activation, which in turn induces tumor necrosis factor alpha (TNF-alpha) secretion and generates and inflammatory response in the lungs. Studies have shown that the more soluble the uranium salt, the more toxic it is. Ionizing radiation produced by uranium damages the DNA, resulting in gene mutations and chromosomal aberrations. This can both both initiate and promote carcinogenesis, and interfere with reproduction and development. (5, 1)
MetabolismUranium is absorbed in low amounts via oral, inhalation, and dermal routes. Uranium in body fluids generally exists as the uranyl ion (UO2)2+ complexed with anions, such as citrate and bicarbonate, or plasma proteins. Uranium preferentially distributes to bone, liver, and kidney. The large majority of uranium that enters the body is not absorbed and is eliminated from the body via the urine and faeces. (4)
Toxicity ValuesLC50: 26 098 mg/m3 over 5 minutes (Inhalation, Rat) (5)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Uranium: Group 1, carcinogenic to humans (7)
Uses/SourcesUranium hexafluoride is used for fuel in nuclear reactors and nuclear weapons. (6)
Minimum Risk LevelIntermediate Inhalation: 0.0004 mg/m3 (Soluble uranium salts) (3) Chronic Inhalation: 0.0003 mg/m3 (Soluble uranium salts) (3) Intermediate Oral: 0.002 mg/kg/day (Soluble uranium salts) (3) Intermediate Inhalation: 0.008 mg/m3 (Insoluble uranium compounds) (3)
Health EffectsUranium primarily damages the kidney, but may also damage the lungs, central nervous system, and immune system. Uranium's radioactivity is believed to damage the DNA, resulting in carcinogenic effects and reproductive and developmental damage. (4, 5)
SymptomsIngestion of uranium may cause vomiting and diarrhea. (4)
TreatmentEYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID24560
ChEMBL IDNot Available
ChemSpider ID22966
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI ID30235
BioCyc IDNot Available
CTD IDC036638
Stitch IDUranium hexafluoride
PDB IDNot Available
ACToR IDNot Available
Wikipedia LinkNot Available
References
Synthesis ReferenceNot Available
MSDST3D1164.pdf
General References
  1. Gazin V, Kerdine S, Grillon G, Pallardy M, Raoul H: Uranium induces TNF alpha secretion and MAPK activation in a rat alveolar macrophage cell line. Toxicol Appl Pharmacol. 2004 Jan 1;194(1):49-59. [14728979 ]
  2. Vidaud C, Dedieu A, Basset C, Plantevin S, Dany I, Pible O, Quemeneur E: Screening of human serum proteins for uranium binding. Chem Res Toxicol. 2005 Jun;18(6):946-53. [15962929 ]
  3. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  4. Wikipedia. Uranium. Last Updated 28 May 2009. [Link]
  5. ATSDR - Agency for Toxic Substances and Disease Registry (1999). Toxicological profile for uranium. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  6. Wikipedia. Uranium hexafluoride. Last Updated 27 May 2009. [Link]
  7. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

1. DNA
General Function:
Used for biological information storage.
Specific Function:
DNA contains the instructions needed for an organism to develop, survive and reproduce.
Molecular Weight:
2.15 x 1012 Da
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (1999). Toxicological profile for uranium. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]