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

기본 정보

CAS: 163931-61-1
표준 SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F[Si-](F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: RQBKGJOQACIQDG-UHFFFAOYSA-N
분자식: C34H51F2NSi
평균 분자량: 539.9 g/mol
단동위원소 질량: 539.3758836

이름 및 식별자

우선 이름: Tetrabutylammonium Difluorotriphenylsilicate
IUPAC: difluoro(triphenyl)silanuide;tetrabutylazanium
영어명: Tetrabutylammonium Difluorotriphenylsilicate
분자식: C34H51F2NSi
분자량: 539.86

이름 및 동의어

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-)

이름 더 보기

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

C34H51F2NSiCHEMBL1077766SCHEMBL29351358DTXSID60432449AKOS024462927DS-9421FT60389HY-W004963

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 15
무거운 원자 수: 38
형식 전하: 0
복잡도: 401

물리화학적 성질

녹는점: 157 · 157-163 °C(lit.)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 대부분의 유기용매에 용해됩니다.
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
안정성: 흡습성, 수분 민감성
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

화학적 성질 · 1건

Tetrabutylammonium Difluorotriphenylsilicate(TBAT) is a liquid, degenerate exchange between TBAT and fluorotriphenylsilane (FTPS) is very rapid in THF, inherently increases in rate over time, and is profoundly sensitive to the presence of water.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29319090
risk_code: 14-34
hazard_code: C
safety_code: 22-26-36/37/39-45
포장분류: Ⅱ
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

개요Tetrabutylammonium 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.

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

제조 방법

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