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Tantalum pentafluoride

HCID 82218
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Basic information

CAS
7783-71-3
Standard SMILES
[F][Ta]([F])([F])([F])[F]
InChIKey
YRGLXIVYESZPLQ-UHFFFAOYSA-I
Molecular formula
F5Ta
Average molar mass
275.9399 g/mol
Monoisotopic mass
275.94001

Names & identifiers

Preferred name
Tantalum pentafluoride
IUPAC
pentafluorotantalum
English name
TANTALUM PENTAFLUORIDE
Molecular formula
F5Ta
Molecular weight
275.94

Names & synonyms

Tantalum pentafluorideTantalum(V) fluoride7783-71-3pentafluorotantalumTantalum fluorideTantalum fluoride (TaF5)UNII-QAG1W735WOEINECS 232-022-3QAG1W735WOTaF5Tantalum(3+) fluorideTantalum(III) Fluoride
Show more names
Tantalum FluoxideTantanium Fluoridetantalumfluoride(taf5)TANTALUM(V) FLUORIDE 99%Tantalum(V)pentafluoride
Tantalum(V) fluoride, 98%SCHEMBL665023Q261542513814-17-0

Database identifiers

CAS
7783-71-3
PubChem CID
82218
EC Number
232-022-3

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
6
Formal charge
0
Complexity
37.1

Experimental & physicochemical properties

Chemical ClassesMetals -> Metals, Inorganic Compounds
Density4.74 @25 °C
Boiling Point229.5 °C @760 [mm Hg]
Melting Point96.8 °C
Vapor Pressure100 [mm Hg] @130 °C
Physical DescriptionDeliquescent refractive solid; [Merck Index] Off-white powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
96.8 °C · 96.8 °C
Boiling point
229.5 °C · 229.5 °C
Density
4.74 g/mL · 4.74 g/mL at 25 °C(lit.)
Flash point
230 °C · 230°C
solubility
2 O, · soluble in H2O, ethyl ether; slightly soluble in CS2
form
Powder
Specific Gravity
4.74 · 4.740

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Tantalum, metal and tantalum oxide, dust. See Tantalum pentachloride.
Hazard Classes and CategoriesAcute Tox. 4 (10.6%)

Safety & protection

Exposure Control and Personal Protection · 2 items

Biological Exposure Indices (BEI) [ACGIH] - Fluorides in urine = 2 mg/L prior to shift or 3 mg/L at end of shift; (Repeated measurements recommended.)

1.0 [mg/m3]

Threshold Limit Values (TLV)2.5 [mg/m3]
Permissible Exposure Limit (PEL)2.5 [mg/m3]
Protective Action Criteria (PAC) · 3 items

22 [mg/m3]

240 [mg/m3]

1500 [mg/m3]

Chemistry & industry

Uses & manufacturing

UsesUsed as a Friedel-Crafts catalyst; [Merck Index]
General Manufacturing InformationTantalum fluoride (TaF5): ACTIVE
Applications · 3 items

UsesTantalum fluoride is a catalyst used to speed up organic chemical reactions.

UsesTantalum pentafluoride, TaF5, is used in petrochemistry as an isomerization and alkyalation catalyst. In addition, the fluoride can be utilized as a fluorination catalyst for the production of fluorinated hydrocarbons. The pentafluoride is produced by the direct fluorination of tantalum metal or by reacting anhydrous hydrogen fluoride with the corresponding pentoxide or oxychloride in the presence of a suitable dehydrating agent. The ability of TaF5 to act as a fluoride ion acceptor in anhydrous HF has been used in the preparation of salts of the AsH4, H3S, and PH4 ions. The oxyfluorides TaOF3 and TaO2F do not find any industrial application.

UsesFriedel-Crafts catalyst.

Upstream & downstream products

Upstream raw materials

FluorineTantalumTantalum(V) chlorideCarbon dioxideHydrogen fluoride

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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color
off-white
Water Solubility
3 · Decomposes in water forming tantalum oxyfluoride. Soluble in conc. and fuming HNO{3}Soluble in carbon disulfide, carbon tetrachloride and chloroform. Slightly soluble in acetic acid and ethanol.
Hydrolytic Sensitivity
7 · 7: reacts slowly with moisture/water
Sensitive
Moisture Sensitive
Merck
14 · 14,9055
Exposure limits
2.5 mg/m3NIOSH: · ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
InChI
1S/5FH.Ta/h5*1H;/q;;;;;+5/p-5
InChIKey
YRGLXIVYESZPLQ-UHFFFAOYSA-I
SMILES
F[Ta](F)(F)(F)F
CAS DataBase Reference
7783 · 7783-71-3(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
1 W735WO · QAG1W735WO
EPA Substance Registry System
Tantalum fluoride (TaF5) (7783-71-3)
UNSPSC Code
12352302 · 12352302
NACRES
23 · NA.23
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
260 · P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
C
Risk Statements
34 · 34
Safety Statements
26 · 26-27-28-36/37/39-45
RIDADR
3260 · UN 3260 8/PG 2
WGK Germany
3 · 3
RTECS
5775000 · WW5775000
Hazard Note
Corrosive
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
II
HS Code
2826199090 · 2826199090
Storage Class
8 B · 8B - Non-combustible corrosive hazardous materials
Hazard Classifications
1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities
1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
rtecs
WW5775000
ridadr
UN 3260 8/PG 2
hs_code
2826199090
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
hazard_note
Corrosive
safety_code
26-27-28-36/37/39-45
hazard_class
8
Storage Class
8B - Non-combustible corrosive hazardous materials
packing_group
II
Hazard statements
H314
Limited Quantities
1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications
Eye Dam. 1Skin Corr. 1B
Precautionary statements
P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338