Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트리메틸시릴 트리플루오로메탄설폰산염
트리메틸시릴트리플루오로메탄설폰산염 · 트리메틸시릴트리플루오로메탄설폰산염(TRIMETHYLSILYLTRIFLUOROMETHANESULFONATE... · TMSOTF · TRIMETHYLSILYL TRIFLATE · TMS TRIFLATE · Trimethylsltrifluoromethanesulphonate · TRIMETHYLSILYL TRIFLUOROMETHYLSULFONATE · TRIFLUOROMETHANESULFONIC ACID TRIMETHYLSILYL ESTER
식별자 및 물리적 특성
| CAS No. | 27607-77-8 |
|---|---|
| 분자식 | C4H9F3O3SSi |
| 평균 분자량 | 222.26 g/mol |
| 단동위원소 질량 | 221.99937634 g/mol |
| SMILES | C[Si](C)(C)OS(=O)(=O)C(F)(F)F |
| InChIKey | FTVLMFQEYACZNP-UHFFFAOYSA-N |
| PubChem CID | 65367 |
| EC No. | 248-565-4 |
| DTXSID | DTXSID2067325 |
| 현지명 | 트리메틸시릴 트리플루오로메탄설폰산염 |
화학 및 물리적 성질
| 극성 표면적 | 51.8 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 244 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 29Si nuclear magnetic resonance spectrum |
| 녹는점 | 25°C |
| 끓는 점 | 77 °C/80 mmHg (lit.) |
| 밀도 | 1.228 g/mL at 25 °C (lit.) |
| 증기압 | 4.7 hPa (20 °C) |
| 굴절률 | n20/D 1.36(lit.) |
| 인화점 | 78 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | sol aliphatic and aromatic hydrocarbons, haloalkanes, ethers. |
| 물리적 상태 | 발연 액체 |
| 색상 | 투명한 무색~연한 갈색 |
| 비중 | 1.15 |
| 용해도 | 물과 반응 |
| Merck | 14,9719 |
| BRN | 1868911 |
| InChI | 1S/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3 |
| InChIKey | FTVLMFQEYACZNP-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)OS(=O)(=O)C(F)(F)F |
| NIST | Trimethylsilyl trifluoromethanesulfonate(27607-77-8) |
| EPA | Methanesulfonic acid, trifluoro-, trimethylsilyl ester (27607-77-8) |
화학적 성질
clear colourless to light brown fuming liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.3% (4 of 63) of reports.DangerH226 (92.1%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Methanesulfonic acid, trifluoro-, trimethylsilyl esterStatus: Active Update: 24-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24115Trimethylsilyl trifluoromethanesulphonate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (92.1%) |
| CSL Reaction Information | CSL00179Trimethyl phosphite + Trimethylsilyl triflateReaction resulted in an explosionExplosiveNot AvailableUser Reported |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2920 8/PG 2 |
| 관세 코드 | 29310095 |
| 위험 문구(R) | 10-14-34 |
| 위험 표시 | C,F |
| 안전 문구(S) | 16-26-36/37/39-45-8 |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3Skin Corr. 1B |
| F 고인화성물질 | 10-21 |
| 위험 참고 사항 | Corrosive/Flammable |
| 자연 발화 온도 | 405 °C DIN 51794 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Trimethylsilyl Trifluoromethanesulfonate is a trialkylsilyl triflate used as a catalyst in organic synthesis. Trimethylsilyl Trifluoromethanesulfonate is used in combination with boron trifluoride eth yl ether to prepare a Lewis acid that is more powerful than its components and especially effective in acetonitrile solvent. Trimethylsilyl is a common reagent used in a Dieckmann-like cyclization of ester-imides and diesters.