2-나프틸트리플레이트
2-나프틸트리플레이트 · 2-Naphthyl triflate · 2-NAPHTHYL TRIFLUOROMETHANESULFONATE · 2-Naphthol trifluoromethanesulfonate · 2-NaphthylTrifluoromethanesulfonate>2-(Trifluoromethylsulfonyloxy)naphthalene · 2-naphthyltrifluoromethylsulfonylacidester · Trifluoromethanesulfonic acid 2-naphtyl ester · Trifluoromethanesulfonic Acid 2-Naphthyl Ester
식별자 및 물리적 특성
| CAS No. | 3857-83-8 |
|---|---|
| 분자식 | C11H7F3O3S |
| 평균 분자량 | 276.23 g/mol |
| 단동위원소 질량 | 276.00679974 g/mol |
| SMILES | O=S(=O)(Oc1ccc2ccccc2c1)C(F)(F)F |
| InChIKey | MDWRQYBWVTXIIJ-UHFFFAOYSA-N |
| PubChem CID | 4546341 |
| EC No. | 624-190-5 |
| DTXSID | DTXSID10404111 |
| 현지명 | 2-나프틸트리플레이트 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 51.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 385 |
| 녹는점 | 30-32 °C(lit.) |
| 끓는 점 | 87°C/0.2mmHg(lit.) |
| 밀도 | 1.493±0.06 g/cm3(Predicted) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 주황색으로 |
| InChI | InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H |
| InChIKey | MDWRQYBWVTXIIJ-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)S(OC1=CC=C2C(=C1)C=CC=C2)(=O)=O |
안전 및 규제
| GHS 분류 | DangerH314 (97.5%): 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 Classes and Categories | Skin Corr. 1B (97.5%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29049090 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 22-26-27-36/37/39-45 |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1B |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) may be used as an arylating agent in the arylation of 1-(methoxycarbonyl)-2,5-dihydropyrrole by Heck reaction. It may be used as a substrate for coupling with Reformatsky reagent BrZnCH(CH3)(COOtC4H9) in the presence of “reduced” dichlorobis(1,1-diphenylphosphino)ferrocene catalyst.
일반 설명
2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) is an aryl triflate. Its ruthenium-catalyzed conversion to 2-bromonaphthalene has been reported.