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| Record Information |
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| Version | 4.0 |
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| Status | Detected and Quantified |
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| Creation Date | 2006-08-16 11:23:11 UTC |
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| Update Date | 2019-07-23 05:44:22 UTC |
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| HMDB ID | HMDB0000662 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Fluoride |
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| Description | Fluorine (Latin: fluere, meaning "to flow"), is the chemical element with the symbol F and atomic number 9. It is a nonmetallic, diatomic gas that is a trace element and member of the halogen family. Pure fluorine (F2) is a corrosive, poisonous, pale yellowish brown gas that is a powerful oxidizing agent. It is the most reactive and electronegative of all the elements (4.0), and readily forms compounds with most other elements. Fluorine even combines with the noble gases, krypton, xenon, and radon. Even in dark, cool conditions, fluorine reacts explosively with hydrogen. It is so reactive that glass, metals, and even water, as well as other substances, burn with a bright flame in a jet of fluorine gas. It is far too reactive to be found in elemental form and has such an affinity for most elements, including silicon, that it can neither be prepared nor be kept in ordinary glass vessels. Instead, it must be kept in specialized quartz tubes lined with a very thin layer of fluorocarbons. In moist air it reacts with water to form also-dangerous hydrofluoric acid. Elemental fluorine is a powerful oxidizer which can cause organic material, combustibles, or other flammable materials to ignite. Both elemental fluorine and fluoride ions are highly toxic and must be handled with great care and any contact with skin and eyes should be strictly avoided. Physiologically, fluorine. exists as an ion in the body. When it is a free element, fluorine has a characteristic pungent odor that is detectable in concentrations as low as 20 nL/L. Fluorine is used in dentistry as flouride (Fluorides) to prevent dental caries. Sodium and stannous salts of fluorine are commonly used in dentifrices. Contact of exposed skin with HF (hydrofluoric acid) solutions posses one of the most extreme and insidious industrial threats-- one which is exacerbated by the fact that HF damages nerves in such a way as to make such burns initially painless. The HF molecule is capable of rapidly migrating through lipid layers of cells which would ordinarily stop an ionized acid, and the burns are typically deep. HF may react with calcium, permanently damaging the bone. More seriously, reaction with the body's calcium can cause cardiac arrhythmias, followed by cardiac arrest brought on by sudden chemical changes within the body. These cannot always be prevented with local or intravenous injection of calcium salts. HF spills over just 2.5% of the body's surface area, despite copious immediate washing, have been fatal If the patient survives, HF burns typically produce open wounds of an especially slow-healing nature. Fluorine in the form of fluorspar (also called fluorite) (calcium fluoride) was described in 1530 by Georgius Agricola for its use as a flux , which is a substance that is used to promote the fusion of metals or minerals. In 1670 Schwanhard found that glass was etched when it was exposed to fluorspar that was treated with acid. Karl Scheele and many later researchers, including Humphry Davy, Gay-Lussac, Antoine Lavoisier, and Louis Thenard all would experiment with hydrofluoric acid, easily obtained by treating calcium fluoride (fluorspar) with concentrated sulfuric acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| F(-) | ChEBI | | FLUORIDE ion | ChEBI | | Fluorine anion | ChEBI | | Fluorides | HMDB |
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| Chemical Formula | F |
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| Average Molecular Weight | 18.9984 |
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| Monoisotopic Molecular Weight | 18.998403205 |
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| IUPAC Name | fluoride |
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| Traditional Name | fluoride |
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| CAS Registry Number | 7782-41-4 |
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| SMILES | [F-] |
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| InChI Identifier | InChI=1S/FH/h1H/p-1 |
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| InChI Key | KRHYYFGTRYWZRS-UHFFFAOYSA-M |
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| Chemical Taxonomy |
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| Description | belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. |
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| Kingdom | Inorganic compounds |
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| Super Class | Homogeneous non-metal compounds |
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| Class | Homogeneous halogens |
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| Sub Class | Not Available |
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| Direct Parent | Homogeneous halogens |
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| Alternative Parents | Not Available |
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| Substituents | |
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Ontology |
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| Physiological effect | Health effect: |
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| Disposition | Route of exposure: Source: Biological location: |
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| Role | Environmental role: Industrial application: Biological role: |
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| Physical Properties |
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| State | Liquid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | -219.61 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 0.0017 mg/mL at 25 °C | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-9000000000-15e49aa98d47f1ff8145 | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9000000000-15e49aa98d47f1ff8145 | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9000000000-15e49aa98d47f1ff8145 | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-9000000000-0ca435743791c1006c74 | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-9000000000-0ca435743791c1006c74 | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-9000000000-0ca435743791c1006c74 | JSpectraViewer | MoNA |
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| Biological Properties |
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| Cellular Locations | |
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| Biospecimen Locations | |
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| Tissue Locations | |
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| Pathways | |
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| Normal Concentrations |
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| Blood | Detected and Quantified | 4.74 +/- 1.75 uM | Adult (>18 years old) | Both | Normal | | details | | Blood | Detected and Quantified | 6.58 +/- 2.14 uM | Elderly (>65 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 160 +/- 480 uM | Adult (>18 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 40 +/- 140 uM | Adult (>18 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 40 +/- 130 uM | Adult (>18 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 130 +/- 310 uM | Adult (>18 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 130 +/- 420 uM | Adult (>18 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 80 +/- 220 uM | Adult (>18 years old) | Both | Normal | | details | | Saliva | Detected and Quantified | 90 +/- 240 uM | Adult (>18 years old) | Both | Normal | | details | | Urine | Detected and Quantified | 0.28 umol/mmol creatinine | Newborn (0-30 days old) | Both | Normal | | details | | Urine | Detected and Quantified | 0.93 (0.17 - 2.43) umol/mmol creatinine | Children (1-13 years old) | Both | Normal | | details | | Urine | Detected and Quantified | 1.80 (1.05 - 2.96) umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details |
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| Abnormal Concentrations |
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| Not Available |
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| Associated Disorders and Diseases |
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| Disease References | None |
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| Associated OMIM IDs | None |
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| External Links |
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| DrugBank ID | DB11257 |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | FDB004485 |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 26214 |
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| KEGG Compound ID | C00742 |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Fluorine |
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| METLIN ID | Not Available |
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| PubChem Compound | 28179 |
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| PDB ID | Not Available |
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| ChEBI ID | 17051 |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| References |
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| Synthesis Reference | Li, Rong. Electrolytic cell for manufacturing fluorine at intermediate temperature. Shiyong Xinxing Zhuanli Shuomingshu (2007), 13pp. CODEN: CNXXAR CN 2895439 Y 20070502 CAN 147:310009 AN 2007:902560 |
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| Material Safety Data Sheet (MSDS) | Download (PDF) |
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| General References | - Schaafsma A, de Vries PJ, Saris WH: Delay of natural bone loss by higher intakes of specific minerals and vitamins. Crit Rev Food Sci Nutr. 2001 May;41(4):225-49. [PubMed:11401244 ]
- Taylor A: Detection and monitoring of disorders of essential trace elements. Ann Clin Biochem. 1996 Nov;33 ( Pt 6):486-510. [PubMed:8937580 ]
- Schneider E, Bolo NR, Frederick B, Wilkinson S, Hirashima F, Nassar L, Lyoo IK, Koch P, Jones S, Hwang J, Sung Y, Villafuerte RA, Maier G, Hsu R, Hashoian R, Renshaw PF: Magnetic resonance spectroscopy for measuring the biodistribution and in situ in vivo pharmacokinetics of fluorinated compounds: validation using an investigation of liver and heart disposition of tecastemizole. J Clin Pharm Ther. 2006 Jun;31(3):261-73. [PubMed:16789992 ]
- Thie JA, Smith GT, Hubner KF: 2-deoxy-2-[F-18]fluoro-D-glucose-positron emission tomography sensitivity to serum glucose: a survey and diagnostic applications. Mol Imaging Biol. 2005 Sep-Oct;7(5):361-8. [PubMed:16228119 ]
- McGoron AJ, Mao X, Georgiou MF, Kuluz JW: Computer phantom study of brain PET glucose metabolism imaging using a rotating SPECT/PET camera. Comput Biol Med. 2005 Jul;35(6):511-31. [PubMed:15780862 ]
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