CAS 163931-61-1 Tetrabutylammonium Difluorotriphenylsilicate (HCID 9893474)

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Basic information

CAS: 163931-61-1
Standard SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F[Si-](F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: RQBKGJOQACIQDG-UHFFFAOYSA-N
Molecular formula: C34H51F2NSi
Average molar mass: 539.9 g/mol
Monoisotopic mass: 539.3758836

Names & identifiers

Preferred name: Tetrabutylammonium Difluorotriphenylsilicate
IUPAC: difluoro(triphenyl)silanuide;tetrabutylazanium
English name: Tetrabutylammonium Difluorotriphenylsilicate
Molecular formula: C34H51F2NSi
Molecular weight: 539.86

Names & synonyms

163931-61-1Tetrabutylammonium difluorotriphenylsilicateRefChem:896752629-428-1TBATTetrabutylammonium difluorotriphenylsilicate(IV)difluoro(triphenyl)silanuide;tetrabutylazaniumMFCD00274218Tetrabutylammonium triphenyldifluorosilicateTetrabutylamoniumdifluorotriphenylsilicateTETRABUTYLAMMONIUM TRIPHENYLDIFLUORO-SILN,N,N-Tributyl-1-butanaminium (TB-5-11)-Difluorotriphenylsilicate(1-); TBAT; Tetrabutylammonium Triphenyldifluorosilicate; Tetrabutylammonium Triphenylsilyl Difluoride; Tetrabutylammonium(1+) Difluorotriphenylsilicate(1-)

Show more names

TETRA-N-BUTYLAMMONIUMTETRA-N-BUTYLAMMONIUM DIFLUOROTRIPHENYLSILICATEDK570DKFELEX0140Bardac(R) 205 MAlkyl Dimethyl Be

C34H51F2NSiCHEMBL1077766SCHEMBL29351358DTXSID60432449AKOS024462927DS-9421FT60389HY-W004963

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 15
Heavy atoms: 38
Formal charge: 0
Complexity: 401

Physicochemical properties

Melting point: 157 · 157-163 °C(lit.)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in most organic solvents.
form: powder to crystal
color: White to Almost white
Stability: Hygroscopic, Moisture sensitive
InChI: InChI=1S/C18H15F2Si.C16H36N/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-15H;5-16H2,1-4H3/q-1;+1
InChIKey: RQBKGJOQACIQDG-UHFFFAOYSA-N
SMILES: [Si-](F)(F)(C1=CC=CC=C1)(C1C=CC=CC=1)C1C=CC=CC=1.[N+](CCCC)(CCCC)(CCCC)CCCC
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29319090
risk_code: 14-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 22-26-36/37/39-45
hazard_class: 8
Storage Class: 8A - 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

Chemistry & industry

Applications · 3 items

DescriptionTetrabutylammonium difluorotriphenylsilicate, is a fluoride source for nucleophilic fluorination. It is an anion-exchange resin utilized in laboratory experiments for various scientific purposes. Its distinct characteristics render it useful for researchers in chromatography, catalysis, and electrochemistry. It consists of two functional groups: a positively charged ammonium group and a negatively charged difluorotriphenylsilicate group. This resin allows for the exchange of anions within solutions. In chromatography and catalysis, Tetrabutylammonium difluorotriphenylsilicate effectively separates and purifies diverse compounds, including proteins, peptides, and organic molecules. Moreover, it catalyzes organic reactions and contributes to the synthesis of organic compounds. Additionally, it plays a significant role in electrochemical experiments, aiding the study of electrochemical reactions and the measurement of electrochemical potentials.

UsesTetrabutylammonium Difluorotriphenylsilicate (Bardac(R) 208M) is a quaternary ammonium based antimicrobial used as a bacteriostat, deodorant, disinfectant and(or) a microbiocide.

UsesTetrabutylammonium Difluorotriphenylsilicate is non-hygroscopic, organic-soluble reagent used as a nucleophilic fluoride source in Nucleophilic Fluorination and Allylation Reactions.

Preparation methods

PreparationTetrabutylammonium Difluorotriphenylsilicate is prepared by treatment of triphenylsilyl fluoride with tetrabutylammonium fluoride (TBAF), or by reaction of triphenylsilane with tetrabutylammonium hydrogen difluoride.