hexafluoro-λ5-phosphanuide; triphenylmethylium

• ChemBase ID: 147421
• Molecular Formular: C19H15F6P
• Molecular Mass: 388.2865802
• Monoisotopic Mass: 388.08155643
• SMILES: c1ccc(cc1)[C+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
• Canonical SMILES: c1ccc(cc1)[C+](c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
• InChI: InChI=1S/C19H15.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1
• InChIKey: IBTFOFOFRZKIJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-λ^5-phosphanuide; triphenylmethylium
• IUPAC Traditional name: triphenylmethylium hexafluorophosphate
• Synonyms: NSC 176018; Triphenylcarbonium hexafluorophosphate; Triphenylmethyl hexafluorophosphate; Trityl hexafluorophosphate; Tritylium hexafluorophosphate; Triphenylcarbenium hexafluorophosphate; Tritylium hexafluorophosphate; 三苯基六氟磷酸碳; 三苯基六氟磷酸碳

Database IDs

• CAS Number: 437-17-2
• EC Number: 207-112-0
• MDL Number: MFCD00013121
• Beilstein Number: 4344297
• PubChem SID: 162241609; 24850084; 24889889
• PubChem CID: 2723954

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.030707
• LogD (pH = 7.4): 2.030707
• Log P: 2.030707
• Molar Refractivity: 79.5869 cm^3
• Polarizability: 31.464106 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~150 °C (dec.)(lit.); ca 160°C dec.

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P301+P330+P331-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (CHN); 98%
• Grade: purum
• Linear Formula: (C6H5)3C(PF6)

DETAILS

Sigma Aldrich - 164569

Packaging
10 g in poly bottle
Application
Reactant of reagent involved in:
• Si-H and Si-Si bond activeation at Pt of neutral and cationic silyl Pt bisphosphine complexes1
• Investigations of interactions with chromium acetylacetonate nitride mononuclear complexes2
• Synthesis of "push-pull" tropylium-fused aminoporphyrazine3
• Preparation of cycloheptatrienyl and tropylium calix[4]arenes4
• Synthesis of palladacycles containing chiral rhenium half-sandwich complex for use as a catalyst5
• Double ring-opening polyaddition of spiro orthoesters6

Sigma Aldrich - 93456

Application
Reactant of reagent involved in:
• Si-H and Si-Si bond activeation at Pt of neutral and cationic silyl Pt bisphosphine complexes1
• Investigations of interactions with chromium acetylacetonate nitride mononuclear complexes2
• Synthesis of "push-pull" tropylium-fused aminoporphyrazine3
• Preparation of cycloheptatrienyl and tropylium calix[4]arenes4
• Synthesis of palladacycles containing chiral rhenium half-sandwich complex for use as a catalyst5
• Double ring-opening polyaddition of spiro orthoesters6