Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2,2-Trifluoroethyl trifluoromethanesulfonate
2,2,2-TRIFLUOROETHYL TRIFLATE · 2,2,2-TRIFLUOROETHYL TRIFLUOROMETHANESULPHONATE · TFOL-TF · TRIFLUOROMETHANESULFONIC ACID 2,2,2-TRIFLUOROETHYL ESTER · 2,2,2-Trifluoroethyl Triflante · 2,2,2-Trifluoroethyl trifluoromethanesulf · 2-Trifluoroethyl trifluoromethanesulfonate · 2,2,2-Trifluoroethytrifluoromethanesulfonate
식별자 및 물리적 특성
| CAS No. | 6226-25-1 |
|---|---|
| 분자식 | C3H2F6O3S |
| 평균 분자량 | 232.1 g/mol |
| 단동위원소 질량 | 231.96288424 g/mol |
| SMILES | O=S(=O)(OCC(F)(F)F)C(F)(F)F |
| InChIKey | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| PubChem CID | 80366 |
| EC No. | 458-390-7 |
| DTXSID | DTXSID1073365 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 51.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 254 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| 끓는 점 | 89-91°C |
| 밀도 | 1,61 g/cm3 |
| 굴절률 | 1.3037 |
| 인화점 | >110°(230°F) |
| 저장 조건 | 2-8°C |
| 용해도 | 에 용해됨클로로포름, 메탄올 (약간 용해됨) |
| 물리적 상태 | 액체 |
| 색상 | 무색~황색 |
| 용해도 | 물에 약간 용해됩니다. |
| InChI | InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2 |
| InChIKey | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)S(OCC(F)(F)F)(=O)=O |
| EPA | Methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester (6226-25-1) |
안전 및 규제
| GHS 분류 | DangerH301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, 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 91 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Status: Active Update: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34098 |
| Hazard Classes and Categories | Flam. Liq. 3 (14.3%)Acute Tox. 3 (85.7%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 3265 |
| 관세 코드 | 29055900 |
| 위험 문구(R) | 36/37/38-34-23/25 |
| 위험 표시 | Xi,T,C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | Ⅱ |
| 위험 등급 | 8Acute Tox. 2 InhalationAcute Tox. 3 OralSkin Corr. 1B |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
2,2,2-Trifluoroethyl trifluoromethanesulfonate is a powerful trifluoroethylating agent which is useful for synthesis of fluorinated amino acids. It is used as a reagent in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines.