Hydrogen fluoride (T3D0247)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (7)XML
Targets (7)
Record Information
Version2.0
Creation Date2009-03-06 18:58:22 UTC
Update Date2014-12-24 20:21:24 UTC
Accession NumberT3D0247
Identification
Common NameHydrogen fluoride
ClassSmall Molecule
DescriptionHF can refer to both hydrogen fluoride (gas) and hydrofluoric acid. Hydrofluoric acid is a solution of hydrogen fluoride (HF) in water. It is a precursor to almost all fluorine compounds, including pharmaceuticals such as fluoxetine (Prozac), surface coatings such as PTFE (Teflon), and elemental fluorine itself. Hydrofluoric acid is classified as a weak acid because of its lower dissociation constant compared to the strong acids. Hydrofluoric acid is produced by treatment of the mineral fluorite (CaF2) with concentrated sulfuric acid. When combined at 265 °C, these two substances react to produce hydrogen fluoride and calcium sulfate. HF is used in oil refining, the production of organofluorines, fluorides and glass etching. Hydrofluoric acid is also used for dissolving rock samples (usually powdered) prior to analysis.
Compound Type
  • Fluoride Compound
  • Household Toxin
  • Industrial By-product/Pollutant
  • Industrial Precursor/Intermediate
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Non-Metal
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Fluorane
Fluorhydric acid
Fluoric acid
Fluoridohydrogen
Hydrofluoride
Chemical FormulaFH
Average Molecular Mass20.006 g/mol
Monoisotopic Mass20.006 g/mol
CAS Registry Number7664-39-3
IUPAC Namehydrogen fluoride
Traditional Namehydrogen fluoride
SMILESF
InChI IdentifierInChI=1S/FH/h1H
InChI KeyInChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen hydrides
Direct ParentHalogen hydrides
Alternative Parents
Substituents
  • Halogen hydride
  • Inorganic hydride
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateGas
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point-83.36°C
Boiling PointNot Available
Solubility0.922 mg/mL at 0 °C [DEAN,JA (1985)]
LogPNot Available
Predicted Properties
PropertyValueSource
logP0.15ChemAxon
pKa (Strongest Acidic)3.17ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity1.67 m³·mol⁻¹ChemAxon
Polarizability0.79 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, Positivesplash10-00di-9000000000-8a5dc37d6aaa15668cc32016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-8a5dc37d6aaa15668cc32016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9000000000-8a5dc37d6aaa15668cc32016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-07294f33c54616bd40c02016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-07294f33c54616bd40c02016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-07294f33c54616bd40c02016-08-03View Spectrum
Toxicity Profile
Route of ExposureOral (2) ; inhalation (2) ; dermal (2)
Mechanism of ToxicityIn addition to being a highly corrosive liquid, hydrofluoric acid is also a contact poison. As with most acids HF can cause tissue burns through the denaturation of proteins and partial hydrolysis of proteins. Most proteins denature at pH values of less than 3-4. The large-scale denaturation of proteins, de-esterification of lipids and subsequent desiccation of tissues leads to chemical burns. Owing to its low acid dissociation constant, HF as a neutral lipid-soluble molecule penetrates tissue more rapidly than typical mineral acids. Because of the ability of hydrofluoric acid to penetrate tissue, poisoning can occur readily through exposure of skin or eyes, or when inhaled or swallowed. HF also interferes with nerve function, meaning that burns may not initially be painful. In the body, hydrofluoric acid reacts with the ubiquitous biologically important ions Ca2+ and Mg2+. Formation of insoluble calcium fluoride is proposed as the etiology for both precipitous fall in serum calcium and the severe pain associated with tissue toxicity. In some cases, exposures can lead to hypocalcemia. Inorganic fluoride inhibits adenylate cyclase activity required for antidiuretic hormone effect on the distal convoluted tubule of the kidney. Fluoride also stimulates intrarenal vasodilation, leading to increased medullary blood flow, which interferes with the counter current mechanism in the kidney required for concentration of urine.
MetabolismFluoride ions are incorporated into bone by substituting for hydroxyl groups in the carbonate-apatite structure to produce hydroxyfluorapatite, thus altering the mineral structure of the bone. Alteration in mineralization increases hardness and bone mass, but also decreases mechanical strength. A portion of the circulating inorganic fluoride acts as an enzyme inhibitor because it forms metalfluoride-phosphate complexes that interfere with the activity of those enzymes requiring a metal ion cofactor. In addition, fluoride may interact directly with the enzyme or the substrate. It is a general inhibitor of the energy production system of the cell. Fluorine may bind calcium and decrease its concentration. This is thought to indirectly inhibit amelogeninase activity, resulting in altered crystal growth and subsequently causing dental fluorosis. (6)
Toxicity ValuesLC50: 500 ppm over 1 hours (Inhalation, Mouse) (5)
Lethal Dose50 to 250 ppm over 5 minutes (Inhalation) or 1.5 grams (Oral) for an adult human. (4, 1)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesHydrofluoric acid is used mainly for etching glass. It is also used in oil refining and as a precursor to other fluoride compounds. (6)
Minimum Risk LevelNot Available
Health EffectsHydrogen fluoride is extremely corrosive. It may penetrate the skin and weaken the bones, as well as interfere with nerve function and react with blood calcium, causing cardiac arrest. (7)
SymptomsHydrogen fluoride is very irritating to the skin, eyes, and respiratory tract. (6)
TreatmentHydrofluoric acid exposure is often treated with calcium gluconate, a source of Ca2+ that sequesters the fluoride ions. HF chemical burns can be treated with a water wash and 2.5% calcium gluconate gel or special rinsing solutions. However, because it is absorbed, medical treatment is necessary; rinsing off is usually not enough. Intra-arterial infusions of calcium chloride have also shown great effectiveness in treating burns.
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID14917
ChEMBL IDCHEMBL1232767
ChemSpider ID14214
KEGG IDC16487
UniProt IDNot Available
OMIM ID
ChEBI ID29228
BioCyc IDNot Available
CTD IDD006858
Stitch IDHydrogen fluoride
PDB IDNot Available
ACToR ID7949
Wikipedia LinkHydrogen fluoride
References
Synthesis ReferenceNot Available
MSDST3D0247.pdf
General References
  1. CURRY AS: Twenty-one uncommon cases of poisoning. Br Med J. 1962 Mar 10;1(5279):687-9. [13882739 ]
  2. Matsumura H, Matsuoka M, Igisu H, Ikeda M: Cooperative inhibition of acetylcholinesterase activities by hexachlorophene in human erythrocytes. Arch Toxicol. 1997;71(3):151-6. [9049051 ]
  3. Thompson TS and Vorster SJ (2000). Attempted suicide by ingestion of methoxychlor. J Anal Toxicol 24:377-380.
  4. Hathaway GJ, Proctor NH, and Hughes JP. (1996). Chemical Hazards of the Workplace. 4th ed. New York, NY: Van Nostrand Reinhold Company.
  5. Budavari, S (ed) (1996). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc.
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2003). Toxicological profile for fluorides, hydrogen fluoride, and fluorine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  7. Wikipedia. Hydrofluoric acid. Last Updated 22 June 2009. [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

Target Details
1. Adenylate cyclase type 1
General Function:
Metal ion binding
Specific Function:
Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling. Mediates responses to increased cellular Ca(2+)/calmodulin levels (By similarity). May be involved in regulatory processes in the central nervous system. May play a role in memory and learning. Plays a role in the regulation of the circadian rhythm of daytime contrast sensitivity probably by modulating the rhythmic synthesis of cyclic AMP in the retina (By similarity).
Gene Name:
ADCY1
Uniprot ID:
Q08828
Molecular Weight:
123438.85 Da
References
  1. Stadel JM, Crooke ST. Differential effects of fluoride on adenylate cyclase activity and guanine nucleotide regulation of agonist high-affinity receptor binding. Biochem J. 1988 Aug 15;254(1):15-20. [2845943 ]
Target Details
2. Adenylate cyclase type 10
General Function:
Manganese ion binding
Specific Function:
Catalyzes the formation of the signaling molecule cAMP (PubMed:12609998, PubMed:15659711, PubMed:24616449, PubMed:25040695, PubMed:24567411). May function as sensor that mediates responses to changes in cellular bicarbonate and CO(2) levels (PubMed:15659711, PubMed:17591988). Has a critical role in mammalian spermatogenesis by producing the cAMP which regulates cAMP-responsive nuclear factors indispensable for sperm maturation in the epididymis. Induces capacitation, the maturational process that sperm undergo prior to fertilization (By similarity). Involved in ciliary beat regulation (PubMed:17591988).
Gene Name:
ADCY10
Uniprot ID:
Q96PN6
Molecular Weight:
187147.545 Da
References
  1. Stadel JM, Crooke ST. Differential effects of fluoride on adenylate cyclase activity and guanine nucleotide regulation of agonist high-affinity receptor binding. Biochem J. 1988 Aug 15;254(1):15-20. [2845943 ]
Target Details
3. Adenylate cyclase type 2
General Function:
Protein heterodimerization activity
Specific Function:
Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642). Down-stream signaling cascades mediate changes in gene expression patterns and lead to increased IL6 production. Functions in signaling cascades downstream of the muscarinic acetylcholine receptors (By similarity).
Gene Name:
ADCY2
Uniprot ID:
Q08462
Molecular Weight:
123602.25 Da
References
  1. Stadel JM, Crooke ST. Differential effects of fluoride on adenylate cyclase activity and guanine nucleotide regulation of agonist high-affinity receptor binding. Biochem J. 1988 Aug 15;254(1):15-20. [2845943 ]
Target Details
4. Adenylate cyclase type 5
General Function:
Protein heterodimerization activity
Specific Function:
Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642, PubMed:26206488, PubMed:24700542). Mediates signaling downstream of ADRB1 (PubMed:24700542). Regulates the increase of free cytosolic Ca(2+) in response to increased blood glucose levels and contributes to the regulation of Ca(2+)-dependent insulin secretion (PubMed:24740569).
Gene Name:
ADCY5
Uniprot ID:
O95622
Molecular Weight:
138906.37 Da
References
  1. Stadel JM, Crooke ST. Differential effects of fluoride on adenylate cyclase activity and guanine nucleotide regulation of agonist high-affinity receptor binding. Biochem J. 1988 Aug 15;254(1):15-20. [2845943 ]
Target Details
5. Adenylate cyclase type 6
General Function:
Protein kinase binding
Specific Function:
Catalyzes the formation of the signaling molecule cAMP downstream of G protein-coupled receptors (PubMed:17916776, PubMed:17110384). Functions in signaling cascades downstream of beta-adrenergic receptors in the heart and in vascular smooth muscle cells (PubMed:17916776). Functions in signaling cascades downstream of the vasopressin receptor in the kidney and has a role in renal water reabsorption. Functions in signaling cascades downstream of PTH1R and plays a role in regulating renal phosphate excretion. Functions in signaling cascades downstream of the VIP and SCT receptors in pancreas and contributes to the regulation of pancreatic amylase and fluid secretion (By similarity). Signaling mediates cAMP-dependent activation of protein kinase PKA. This promotes increased phosphorylation of various proteins, including AKT. Plays a role in regulating cardiac sarcoplasmic reticulum Ca(2+) uptake and storage, and is required for normal heart ventricular contractibility. May contribute to normal heart function (By similarity). Mediates vasodilatation after activation of beta-adrenergic receptors by isoproterenol (PubMed:17916776). Contributes to bone cell responses to mechanical stimuli (By similarity).
Gene Name:
ADCY6
Uniprot ID:
O43306
Molecular Weight:
130614.095 Da
References
  1. Stadel JM, Crooke ST. Differential effects of fluoride on adenylate cyclase activity and guanine nucleotide regulation of agonist high-affinity receptor binding. Biochem J. 1988 Aug 15;254(1):15-20. [2845943 ]
Target Details
6. Adenylate cyclase type 9
General Function:
Metal ion binding
Specific Function:
Adenylyl cyclase that catalyzes the formation of the signaling molecule cAMP in response to activation of G protein-coupled receptors (PubMed:9628827, PubMed:12972952, PubMed:15879435, PubMed:10987815). Contributes to signaling cascades activated by CRH (corticotropin-releasing factor), corticosteroids and beta-adrenergic receptors (PubMed:9628827).
Gene Name:
ADCY9
Uniprot ID:
O60503
Molecular Weight:
150699.36 Da
References
  1. Stadel JM, Crooke ST. Differential effects of fluoride on adenylate cyclase activity and guanine nucleotide regulation of agonist high-affinity receptor binding. Biochem J. 1988 Aug 15;254(1):15-20. [2845943 ]
Target Details
7. Calcium ions
References
  1. ATSDR - Agency for Toxic Substances and Disease Registry (2003). Toxicological profile for fluorides, hydrogen fluoride, and fluorine. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]