Tri-tert-butylphosphine tetrafluoroborate

HCID 2734635CAS 131274-22-1

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Grundinformationen

Standard-SMILES: CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.F[B-](F)(F)F
InChIKey: YTJUCJAUJCXFTN-UHFFFAOYSA-O
Summenformel: C12H28BF4P
Durchschnittliche Molmasse: 290,13 g/mol
Monoisotopische Masse: 290,19578081

Namen und Bezeichner

Bevorzugter Name: Tri-tert-butylphosphine tetrafluoroborate
IUPAC: tritert-butylphosphanium tetrafluoroborate
Englischer Name: Tri-tert-butylphosphine tetrafluoroborate
Summenformel: C12H28P.BF4
Molmasse: 290.13

Namen und Synonyme

131274-22-1Tri-tert-butylphosphine tetrafluoroborateB68XS9MF5TRefChem:899007672-603-2Tri-tert-butylphosphonium tetrafluoroborateMFCD04039975tritert-butylphosphanium;tetrafluoroborateTRI-T-BUTYLPHOSPHONIUM TETRAFLUOROBORATEPhosphine, tris(1,1-dimethylethyl)-, tetrafluoroborate(1-) (1:1)tetrafluoroboranuide; tri-tert-butylphosphaniumtri(t-butyl)phosphonium tetrafluoroborate

Weitere Namen anzeigen

P(t-Bu)3HBF4Tri-tert-butylphosphoniumP(But)3.HBF4Tri-t-butylphosphoniumtetrafluoroborate,99%TRI-TERT-BUTYLPHOSPHINE TETRAFLUOROBORIC ACID ADDUCTTTBP HBF4

tri-tertbutylphosphonium tetrafluoroboratetri-(t-butyl)phosphonium tetrafluoroboratetri-tert-butylphosphine tetrafluoroboric acid salt[(t-Bu)3PH]BF4TRIS(TERT-BUTYL)PHOSPHONIUM TETRAFLUOROBORATETri-tert-butylphosphine Tetrafluoroborate; Tris(tert-butyl)phosphine Tetrafluoroborate; Tris(tert-butyl)phosphonium Tetrafluoroborate;tri-t-butylphosphoniumtetrafluoroboratetBu3P HBF4

Datenbank-Bezeichner

CAS: 131274-22-1
PubChem CID: 2734635
DTXSID: DTXSID80370410
EC Number: 672-603-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 261 °C · 261 °C(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
Aggregatzustand: Crystals and Chunks
Farbe: White
Wasserlöslichkeit: Soluble in methylene chloride and chloroform. Slightly soluble in terahydro furan. Insoluble in hexane, toluene and water.
BRN: 8813613 · 8813613
InChI: InChI=1S/C12H28P.BF4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h13H,1-9H3;/q2*-1
InChIKey: YSTLBJVHZMEEAC-UHFFFAOYSA-N
SMILES: [P-](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B-](F)(F)(F)F
CAS Datenbank: 131274 · 131274-22-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 6.2% (1 of 16) of reports.

Danger

H302 (31.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 16 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (31.2%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 1759 8/PG III
hs_code: 29319090
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 22-24/25-36/37/39-26
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendensuzuki reactionHindered Phosphine salt employed with a Pd(0)-15-membered, triolefinic, macrocyle in Suzuki cross-coupling reactions of aryl bromides and chlorides. Also used in Heck coupling of non-activated vinyl tosylates with electron deficient olefins.Ligand used in the Pd-catalyzed enantioselective αarylation of N-boc-pyrrolidine.

Darstellung

synthetischeAddition of HBF4 to a solution of tri-tert-butylphosphine in methylene chloride. Separation of the organic layer and removal of the solvent gives analytically pure Tri-tert-butylphosphine tetrafluoroborate.