Basic Info

Common NameFluorine(F03428)
2D Structure
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.

FRCD IDF03428
CAS Number7782-41-4
PubChem CID28179
FormulaF-
IUPAC Name

fluoride

InChI Key

KRHYYFGTRYWZRS-UHFFFAOYSA-M

InChI

InChI=1S/FH/h1H/p-1

Canonical SMILES

[F-]

Isomeric SMILES

[F-]

WikipediaFluorine
Synonyms
        
            fluoride ion
        
            Fluoride ion(F-)
        
            fluoride
        
            Fluoride(1-)
        
            Fluoride ion(1-)
        
            16984-48-8
        
            Perfluoride
        
            Fluoride dust
        
            Fluorine ion
        
            Fluorine ion(1-)
        
Classifies
                

                  
                    Predicted: Pollutant
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomInorganic compounds
SuperclassHomogeneous non-metal compounds
ClassHomogeneous halogens
SubclassNot available
Intermediate Tree NodesNot available
Direct ParentHomogeneous halogens
Alternative Parents
Molecular FrameworkNot available
SubstituentsHomogeneous halogen
DescriptionThis compound 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.

Properties

Property NameProperty Value
Molecular Weight18.998
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Complexity0
Monoisotopic Mass18.998
Exact Mass18.998
XLogP0.6
Formal Charge-1
Heavy Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9822
Human Intestinal AbsorptionHIA+0.9456
Caco-2 PermeabilityCaco2+0.7066
P-glycoprotein SubstrateNon-substrate0.8959
P-glycoprotein InhibitorNon-inhibitor0.9793
Non-inhibitor0.9814
Renal Organic Cation TransporterNon-inhibitor0.9269
Distribution
Subcellular localizationLysosome0.4936
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8433
CYP450 2D6 SubstrateNon-substrate0.7451
CYP450 3A4 SubstrateNon-substrate0.7941
CYP450 1A2 InhibitorNon-inhibitor0.7925
CYP450 2C9 InhibitorNon-inhibitor0.8935
CYP450 2D6 InhibitorNon-inhibitor0.9444
CYP450 2C19 InhibitorNon-inhibitor0.9194
CYP450 3A4 InhibitorNon-inhibitor0.9627
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9250
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9658
Non-inhibitor0.9549
AMES ToxicityNon AMES toxic0.8722
CarcinogensCarcinogens 0.7363
Fish ToxicityLow FHMT0.5779
Tetrahymena Pyriformis ToxicityHigh TPT0.6557
Honey Bee ToxicityHigh HBT0.8111
BiodegradationNot ready biodegradable0.5851
Acute Oral ToxicityIII0.6819
Carcinogenicity (Three-class)Non-required0.4669

Model Value Unit
Absorption
Aqueous solubility-0.5761LogS
Caco-2 Permeability1.5705LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity2.3596LD50, mol/kg
Fish Toxicity0.9996pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.0413pIGC50, ug/L

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Citrus fruits0110000European Union2*01/09/2008
Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,)0110010European Union2*01/09/2008
Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,)0110020European Union2*01/09/2008
Lemons (Buddha's hands/Buddha's fingers, Citrons,)0110030European Union2*01/09/2008
Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,)0110040European Union2*01/09/2008
Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,)0110050European Union2*01/09/2008
Others (2)0110990European Union2*01/09/2008
Tree nuts0120000European Union2501/09/2008
Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,)0120010European Union2501/09/2008
Brazil nuts0120020European Union2501/09/2008
Cashew nuts0120030European Union2501/09/2008
Chestnuts0120040European Union2501/09/2008
Coconuts (Areca nuts/betel nuts,)0120050European Union2501/09/2008
Hazelnuts/cobnuts (Acorns, Filberts,)0120060European Union2501/09/2008
Macadamias0120070European Union2501/09/2008
Pecans (Hickory nuts,)0120080European Union2501/09/2008
Pistachios0120100European Union2501/09/2008
Walnuts0120110European Union2501/09/2008
Others (2)0120990European Union2501/09/2008
Pome fruits0130000European Union2*01/09/2008

References

TitleJournalDatePubmed ID
Ultrasensitive electrochemical immuno-sensing platform based on gold nanoparticles triggering chlorpyrifos detection in fruits and vegetables.Biosens Bioelectron2018 May 1529346076
Neuroprotective effect of berberine against environmental heavy metals-inducedneurotoxicity and Alzheimer's-like disease in rats.Food Chem Toxicol2018 Jan29170048
Age-Related Patterns in Trace Element Content Vary Between Bone and Teeth of the European Roe Deer (Capreolus capreolus).Arch Environ Contam Toxicol2018 Feb29071367
Antimicrobial Effect of Toothpastes Containing Fluoride, Xylitol, orXylitol-Probiotic on Salivary Streptococcus mutans and Lactobacillus in Children.Niger J Clin Pract2018 Feb29465044
Fluoride distribution and contamination in the water, soil and plants continuum and its remedial technologies, an Indian perspective- a review.Environ Pollut2018 Aug29649763
Effects of fluorine on crops, soil exoenzyme activities, and earthworms in terrestrial ecosystems.Ecotoxicol Environ Saf2018 Apr 3029304414
Antibacterial potency and fluoride release of a glass ionomer restorativematerial containing different concentrations of natural and chemical products: Anin-vitro comparative study.J Clin Exp Dent2018 Apr 129750090
Pharmacological values and therapeutic properties of black tea (Camelliasinensis): A comprehensive overview.Biomed Pharmacother2018 Apr29482046
Fluoride-Induced Autophagy via the Regulation of Phosphorylation of MammalianTargets of Rapamycin in Mice Leydig Cells.J Agric Food Chem2017 Oct 1128927274
Accumulation and interaction of fluoride and cadmium in the soil-wheat plant system from the wastewater irrigated soil of an oasis region in northwest China.Sci Total Environ2017 Oct 128390313
Effects of Excess Dietary Fluoride on Serum Biochemical Indices, Egg Quality, andConcentrations of Fluoride in Soft Organs, Eggs, and Serum of Laying Hens.Biol Trace Elem Res2017 Nov28281223
Mineralization-defects are comparable in fluorotic impacted human teeth andfluorotic mouse incisors.Arch Oral Biol2017 Nov28806687
Adsorptive removal of fluoride from drinking water using porous starch loadedwith common metal ions.Carbohydr Polym2017 Mar 1528115103
Structure-activity relationship of ochratoxin A and synthesized derivatives: importance of amino acid and halogen moiety for cytotoxicity.Arch Toxicol2017 Mar27422291
Lebanese children are iodine deficient and urinary sodium and fluoride excretion are weak positive predictors of urinary iodine.Eur J Nutr2017 Mar26650194
Chemical characterization of surface snow in Istanbul (NW Turkey) and theirassociation with atmospheric circulations.Environ Monit Assess2017 Jun28523580
Trace elements have beneficial, as well as detrimental effects on bone homeostasis.Physiol Res2017 Jul 1828248532
Determination of Fluoride in Organic and Non-organic Wines.Biol Trace Elem Res2017 Jul28028786
Assessment of arsenic, fluoride, bacteria, and other contaminants in drinkingwater sources for rural communities of Kasur and other districts in Punjab,Pakistan.Environ Sci Pollut Res Int2017 Jan27817144
Fluorinated Compounds in U.S. Fast Food Packaging.Environ Sci Technol Lett201730148183