Aluminium fluoride

Aluminium fluoride

Anhydrous AlF3
Names
Other names
Aluminium(III) fluoride
Aluminum trifluoride
Identifiers
CAS Number
  • 7784-18-1 checkY
  • 32287-65-3 (monohydrate) checkY
  • 15098-87-0 (trihydrate) checkY
3D model (JSmol)
  • monomer: Interactive image
  • crystal form: Interactive image
ChEBI
  • CHEBI:49464 checkY
ChemSpider
  • 2039 checkY
ECHA InfoCard 100.029.137 Edit this at Wikidata
PubChem CID
  • 2124
RTECS number
  • BD0725000
UNII
  • Z77H3IKW94 checkY
CompTox Dashboard (EPA)
  • DTXSID8030712 Edit this at Wikidata
InChI
  • InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3 checkY
    Key: KLZUFWVZNOTSEM-UHFFFAOYSA-K checkY
  • InChI=1/Al.3FH/h;3*1H/q+3;;;/p-3
    Key: KLZUFWVZNOTSEM-DFZHHIFOAC
  • monomer: F[Al](F)F
  • crystal form: F[Al](F[Al]0(F)(F)(F)F)(F[Al]1(F)(F)(F)F)(F[Al]2(F)(F)(F)F)(F[Al]3(F)(F)(F)F)F[Al](F[Al](F[Al]4(F)(F)(F)F)(F[Al]5(F)(F)(F)F)(F[Al]6(F)(F)(F)F)(F0)F)(F[Al](F[Al]7(F)(F)(F)F)(F[Al]8(F)(F)(F)F)(F1)(F4)F)(F[Al](F[Al]9(F)(F)(F)F)(F[Al]0(F)(F)(F)F)(F5)(F7)F)(F[Al](F[Al]1(F)(F)(F)F)(F2)(F8)(F9)F)F[Al](F3)(F6)(F0)(F1)F
Properties
Chemical formula
AlF3
Molar mass
  • 83.977 g/mol (anhydrous)
  • 101.992 g/mol (monohydrate)
  • 138.023 (trihydrate)
[1]
Appearance Colorless to white crystalline solid
Odor Odorless
Density
  • 3.10 g/cm3 (anhydrous)
  • 2.17 g/cm3 (monohydrate)
  • 1.914 g/cm3 (trihydrate)
[1]
Melting point 1,290 °C (2,350 °F; 1,560 K)[4] (anhydrous) (sublimes)
Solubility in water
  • 5.6 g/L (0 °C)
  • 6.7 g/L (20 °C)
  • 17.2 g/L (100 °C)
Magnetic susceptibility (χ)
−13.4×10−6 cm3/mol[2]
Refractive index (nD)
1.3767 (visible range)[3]
Structure
Rhombohedral, hR24
R3c, No. 167[5]
a = 0.49254 nm, c = 1.24477 nm
0.261519
6
Thermochemistry
75.1 J/(mol·K)[6]
Std molar
entropy (S298)
66.5 J/(mol·K)[6]
Std enthalpy of
formation fH298)
−1510.4 kJ/mol[6]
−1431.1 kJ/mol[6]
Hazards[7][8][9]
GHS labelling:
Corrosive Acute toxicity Irritant Reproductive toxicity, target organ toxicity, aspiration hazard
Danger
H301, H302, H314, H315, H319, H335, H361, H372
P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
0
0
NIOSH (US health exposure limits):
PEL (Permissible)
none
REL (Recommended)
2 mg/m3
IDLH (Immediate danger)
N.D.
Safety data sheet (SDS) InChem MSDS
Related compounds
Other anions
Other cations
Related compounds
  • Scandium(III) fluoride
  • Yttrium(III) fluoride
  • Lutetium(III) fluoride
  • Lanthanum(III) fluoride
  • Cerium(III) fluoride
  • Actinium(III) fluoride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references
Chemical compound

Aluminium fluoride is an inorganic compound with the formula AlF3. It forms hydrates AlF3·xH2O. Anhydrous AlF3 and its hydrates are all colorless solids. Anhydrous AlF3 is used in the production of aluminium. Several occur as minerals.

Occurrence and production

Aside from anhydrous AlF3, several hydrates are known. With the formula AlF3·xH2O, these compounds include monohydrate (x = 1), two polymorphs of the trihydrate (x = 3), a hexahydrate (x = 6), and a nonahydrate (x = 9).[10]

The majority of aluminium fluoride is produced by treating alumina with hydrogen fluoride at 700 °C:[4] Hexafluorosilicic acid may also be used make aluminium fluoride.[11]

H2[SiF6] + Al2O3 + 3 H2O → 2 AlF3 + SiO2 + 4 H2O

Alternatively, it is manufactured by thermal decomposition of ammonium hexafluoroaluminate.[12] For small scale laboratory preparations, AlF3 can also be prepared by treating aluminium hydroxide or aluminium with hydrogen fluoride.

Aluminium fluoride trihydrate is found in nature as the rare mineral rosenbergite.

The anhydrous form appears as the relatively recently (as of 2020) recognized mineral óskarssonite.[13][14] A related, exceedingly rare mineral, is zharchikhite, Al(OH)2F.[15][14]

Structure

According to X-ray crystallography, anhydrous AlF3 adopts the rhenium trioxide motif, featuring distorted AlF6 octahedra. Each fluoride is connected to two Al centers. Because of its three-dimensional polymeric structure, AlF3 has a high melting point. The other trihalides of aluminium in the solid state differ, AlCl3 has a layer structure and AlBr3 and AlI3, are molecular dimers.[16][page needed] Also they have low melting points and evaporate readily to give dimers.[17][page needed] In the gas phase aluminium fluoride exists as trigonal molecules of D3h symmetry. The Al–F bond lengths of this gaseous molecule are 163 pm.

Like most gaseous metal trifluorides, AlF3 adopts a planar structure upon evaporation.

Applications

Aluminium fluoride is an important additive for the production of aluminium by electrolysis.[4] Together with cryolite, it lowers the melting point to below 1000 °C and increases the conductivity of the solution. It is into this molten salt that aluminium oxide is dissolved and then electrolyzed to give bulk Al metal.[12]

Aluminium fluoride complexes are used to study the mechanistic aspects of phosphoryl transfer reactions in biology, which are of fundamental importance to cells, as phosphoric acid anhydrides such as adenosine triphosphate and guanosine triphosphate control most of the reactions involved in metabolism, growth and differentiation.[18] The observation that aluminium fluoride can bind to and activate heterotrimeric G proteins has proven to be useful for the study of G protein activation in vivo, for the elucidation of three-dimensional structures of several GTPases, and for understanding the biochemical mechanism of GTP hydrolysis, including the role of GTPase-activating proteins.[19]

Niche uses

Together with zirconium fluoride, aluminium fluoride is an ingredient for the production of fluoroaluminate glasses.

It is also used to inhibit fermentation.

Like magnesium fluoride it is used as a low-index optical thin film, particularly when far UV transparency is required. Its deposition by physical vapor deposition, particularly by evaporation, is favorable.

Safety

The reported oral animal lethal dose (LD50) of aluminium fluoride is 100 mg/kg.[20] Repeated or prolonged inhalation exposure may cause asthma, and may have effects on the bone and nervous system, resulting in bone alterations (fluorosis), and nervous system impairment.[21]

Many of the neurotoxic effects of fluoride are due to the formation of aluminium fluoride complexes, which mimic the chemical structure of a phosphate and influence the activity of ATP phosphohydrolases and phospholipase D. Only micromolar concentrations of aluminium are needed to form aluminium fluoride.[22]

Human exposure to aluminium fluoride can occur in an industrial setting, such as emissions from aluminium reduction processes,[23] or when a person ingests both a fluoride source (e.g., fluoride in drinking water or residue of fluoride-based pesticides) and an aluminium source; sources of human exposure to aluminium include drinking water, tea, food residues, infant formula, aluminium-containing antacids or medications, deodorants, cosmetics, and glassware.[22] Fluoridation chemicals may also contain aluminium fluoride.[24] Data on the potential neurotoxic effects of chronic exposure to the aluminium species existing in water are limited.[25]

See also

References

  1. ^ a b Haynes, William M., ed. (2011). CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 4.45. ISBN 1-4398-5511-0.
  2. ^ Haynes, William M., ed. (2011). CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 4.131. ISBN 1-4398-5511-0.
  3. ^ Lide, David R. (2003-06-19). CRC Handbook of Chemistry and Physics. CRC Handbook (84th ed.). CRC Press. ISBN 9780849304842.
  4. ^ a b c Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. p. 233. ISBN 978-0-08-037941-8.
  5. ^ Hoppe, R.; Kissel, D. (1984). "Zur kenntnis von AlF3 und InF3 [1]". Journal of Fluorine Chemistry. 24 (3): 327. doi:10.1016/S0022-1139(00)81321-4.
  6. ^ a b c d Haynes, William M., ed. (2011). CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 5.5. ISBN 1-4398-5511-0.
  7. ^ Pohanish, Richard P. (2005-03-04). HazMat Data: For First Response, Transportation, Storage, and Security. John Wiley & Sons. ISBN 9780471726104.
  8. ^ "Aluminum Fluoride". PubChem. National Institute of Health. Retrieved October 12, 2017.
  9. ^ NIOSH Pocket Guide to Chemical Hazards. "#0024". National Institute for Occupational Safety and Health (NIOSH).
  10. ^ Guangmei Wang; Anja-Verena Mudring (2016). "The missing Hydrate AlF3·6H2O [Al(H2O)6]F3: Ionothermal Synthesis, Crystal Structure and Characterization of Aluminum Fluoride Hexahydrate". Solid State Sciences. 61: 61. doi:10.1016/j.solidstatesciences.2016.09.007.
  11. ^ Dreveton, Alain (2012-01-01). "Manufacture of Aluminium Fluoride of High Density and Anhydrous Hydrofluoric Acid from Fluosilicic Acid". Procedia Engineering. SYMPHOS 2011 - 1st International Symposium on Innovation and Technology in the Phosphate Industry. 46 (Supplement C): 255–265. doi:10.1016/j.proeng.2012.09.471.
  12. ^ a b Aigueperse, J.; Mollard, P.; Devilliers, D.; Chemla, M.; Faron, R.; Romano, R.; Cuer, J. P. "Fluorine Compounds, Inorganic". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. ISBN 978-3527306732.
  13. ^ "Óskarssonite".
  14. ^ a b "List of Minerals". 21 March 2011.
  15. ^ "Zharchikhite".
  16. ^ Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. ISBN 978-0-08-037941-8.
  17. ^ Holleman, A. F.; Wiberg, E. (2001). Inorganic Chemistry. San Diego, CA: Academic Press. ISBN 0-12-352651-5..
  18. ^ Wittinghofer, Alfred (1997-11-01). "Signaling mechanistics: Aluminum fluoride for molecule of the year". Current Biology. 7 (11): R682–R685. doi:10.1016/S0960-9822(06)00355-1. PMID 9382787. S2CID 17666164.
  19. ^ Vincent, Sylvie; Brouns, Madeleine; Hart, Matthew J.; Settleman, Jeffrey (1998-03-03). "Evidence for distinct mechanisms of transition state stabilization of GTPases by fluoride". Proceedings of the National Academy of Sciences. 95 (5): 2210–2215. Bibcode:1998PNAS...95.2210V. doi:10.1073/pnas.95.5.2210. ISSN 0027-8424. PMC 19296. PMID 9482864.
  20. ^ "ALUMINUM FLUORIDE, CASRN: 7784-18-1". National Library of Medicine HSDB Database. CDC.gov. June 24, 2005. Retrieved October 12, 2017.
  21. ^ "ALUMINIUM FLUORIDE (ANHYDROUS) International Chemical Safety Cards (ICSC)". CDC.gov National Institute for Occupational Safety and Health (NIOSH). July 22, 2015. Retrieved July 17, 2017.
  22. ^ a b Fluoride in Drinking Water: A Scientific Review of EPA's Standards. The National Academies Press. 2006. pp. 51–52, 219. doi:10.17226/11571. ISBN 978-0-309-10128-8.
  23. ^ TOXICOLOGICAL PROFILE FOR FLUORIDES, HYDROGEN FLUORIDE, AND FLUORINE (PDF). U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES Public Health Service Agency for Toxic Substances and Disease Registry. 2003. p. 211.
  24. ^ Mullenix, Phyllis J (2014). "A new perspective on metals and other contaminants in fluoridation chemicals". International Journal of Occupational and Environmental Health. 20 (2): 157–166. doi:10.1179/2049396714Y.0000000062. ISSN 1077-3525. PMC 4090869. PMID 24999851.
  25. ^ Aluminum Compounds Review of Toxicological Literature Abridged Final Report. Prepared for National Institute of Environmental Health Sciences. NTP.gov Nomination Summary for Aluminum contaminants of drinking water (N20025). October 2001

External links

Wikimedia Commons has media related to Aluminium fluoride.
  • MSDS
  • ToxNet Profile
  • PubChem
  • v
  • t
  • e
Al(I)
Organoaluminium(I) compounds
Al(C5(CH3)5)
Al(II)
  • AlB2
  • AlB12
  • AlO
Al(III)
  • AlAs
  • Al(BH4)3
  • AlBr3
  • Al(CN)3
  • AlCl3
  • AlF3
  • AlH3
  • AlI3
  • AlN
  • Al(NO3)3
  • Al2(CO3)3
  • Al(OH)3
  • Al(OH)2OAc
  • Al(OH)(OAc)2
  • Al(OAc)3
  • Al2SO4(OAc)4
  • AlP
  • AlPO4
  • AlSb
  • Al(C5H7O2)3
  • Al(MnO4)3
  • Al2(MoO4)3
  • Al2O3
  • Al2S3
  • Al2(SO4)3
  • Al2Se3
  • Al2Te3
  • Al2SiO5
  • AlAsO4
  • Al4C3
  • AlOHO
  • Al(OH)2CO2C17H5
  • NaAlH2(OC2H4OCH3)2
  • LiAlH2(OC2H4OCH3)2
  • K2Al2B2O7
Alums
  • (NH4)Al(SO4)2
  • KAl(SO4)2
  • NaAl(SO4)2
Organoaluminium(III) compounds
  • Al(C3H5O3)3
  • C
    36
    H
    69
    AlO
    6
  • (Al(CH3)3)2
  • (Al(C2H5)3)2
  • Al(CH2CH(CH3)2)3
  • Al(C2H5)2Cl
  • Al(C2H5)2CN
  • Al(CH2CH(CH3)2)2H
  • Al(C2H5)2Cl2C2H5Cl
  • Ti(C5H5)2CH2ClAl(CH3)2
  • v
  • t
  • e
HF He
LiF BeF2 BF
BF3
B2F4
CF4
CxFy
NF3
N2F4
OF
OF2
O2F2
O2F
F Ne
NaF MgF2 AlF
AlF3
SiF4 P2F4
PF3
PF5
S2F2
SF2
S2F4
SF4
S2F10
SF6
ClF
ClF3
ClF5
HArF
ArF2
KF CaF2 ScF3 TiF3
TiF4
VF2
VF3
VF4
VF5
CrF2
CrF3
CrF4
CrF5
CrF6
MnF2
MnF3
MnF4
FeF2
FeF3
CoF2
CoF3
NiF2
NiF3
CuF
CuF2
ZnF2 GaF3 GeF4 AsF3
AsF5
SeF4
SeF6
BrF
BrF3
BrF5
KrF2
KrF4
KrF6
RbF SrF2 YF3 ZrF4 NbF4
NbF5
MoF4
MoF5
MoF6
TcF6 RuF3
RuF4
RuF5
RuF6
RhF3
RhF5
RhF6
PdF2
Pd[PdF6]
PdF4
PdF6
AgF
AgF2
AgF3
Ag2F
CdF2 InF3 SnF2
SnF4
SbF3
SbF5
TeF4
TeF6
IF
IF3
IF5
IF7
XeF2
XeF4
XeF6
XeF8
CsF BaF2 * LuF3 HfF4 TaF5 WF4
WF6
ReF6
ReF7
OsF4
OsF5
OsF6
OsF
7

OsF8
IrF3
IrF5
IrF6
PtF2
Pt[PtF6]
PtF4
PtF5
PtF6
AuF
AuF3
Au2F10
AuF5·F2
HgF2
Hg2F2
HgF4
TlF
TlF3
PbF2
PbF4
BiF3
BiF5
PoF4
PoF6
At RnF2
RnF6
Fr RaF2 ** Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og
* LaF3 CeF3
CeF4
PrF3
PrF4
NdF3 PmF3 SmF2
SmF3
EuF2
EuF3
GdF3 TbF3
TbF4
DyF3 HoF3 ErF3 TmF2
TmF3
YbF2
YbF3
** AcF3 ThF4 PaF4
PaF5
UF3
UF4
UF5
UF6
NpF3
NpF4
NpF5
NpF6
PuF3
PuF4
PuF5
PuF6
AmF3
AmF4
AmF6
CmF3 Bk Cf Es Fm Md No
PF6, AsF6, SbF6 compounds
  • AgPF6
  • KAsF6
  • LiAsF6
  • NaAsF6
  • HPF6
  • HSbF6
  • NH4PF6
  • KPF6
  • KSbF6
  • LiPF6
  • NaPF6
  • NaSbF6
  • TlPF6
AlF6 compounds
  • Cs2AlF5
  • K3AlF6
  • Na3AlF6
chlorides, bromides, iodides
and pseudohalogenides
SiF62-, GeF62- compounds
  • BaSiF6
  • BaGeF6
  • (NH4)2SiF6
  • Na2[SiF6]
  • K2[SiF6]
Oxyfluorides
  • BrOF3
  • BrO2F
  • BrO3F
  • LaOF
  • ThOF2
  • VOF
    3
  • TcO
    3
    F
  • WOF
    4
  • YOF
  • ClOF3
  • ClO2F3
Organofluorides
  • CBrF3
  • CBr2F2
  • CBr3F
  • CClF3
  • CCl2F2
  • CCl3F
  • CF2O
  • CF3I
  • CHF3
  • CH2F2
  • CH3F
  • C2Cl3F3
  • C2H3F
  • C6H5F
  • C7H5F3
  • C15F33N
  • C3H5F
  • C6H11F
with transition metal,
lanthanide, actinide, ammonium
  • VOF3
  • CrOF4
  • CrF2O2
  • NH4F
  • (NH4)2ZrF6
  • CsXeF7
  • Li2TiF6
  • Li2ZrF6
  • K2TiF6
  • Rb2TiF6
  • Na2TiF6
  • Na2ZrF6
  • K2NbF7
  • K2TaF7
  • K2ZrF6
  • UO2F2
nitric acids
bifluorides
  • KHF2
  • NaHF2
  • NH4HF2
thionyl, phosphoryl,
and iodosyl
  • F2OS
  • F3OP
  • PSF3
  • IOF3
  • IO3F
  • IOF5
  • IO2F
  • IO2F3
Authority control databases: National Edit this at Wikidata
  • Germany