테트라뷰틸암모늄 황산
테트라부틸암모늄하이드로겐설페이트 · 테트라뷰틸암모늄황산 · 테트라뷰틸암모늄황산(TETRABUTYLAMMONIUMHYDROGENSULFATE) · TBAHS · Bu4NHSO4 · TETRABUTYLAMMONIUM BISULFATE · IPC-TBA-HS · TETRABUTYLAMMONIUM HYDROGEN SULPHATE
식별자 및 물리적 특성
| CAS No. | 32503-27-8 |
|---|---|
| 분자식 | C16H36N.HO4S |
| 평균 분자량 | 339.5 g/mol |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])O |
| InChIKey | SHFJWMWCIHQNCP-UHFFFAOYSA-M |
| PubChem CID | 94433 |
| ChEMBL | CHEMBL1079247 |
| EC No. | 251-068-5 |
| DTXSID | DTXSID4067690 |
| 현지명 | 테트라뷰틸암모늄 황산 |
화학 및 물리적 성질
| 극성 표면적 | 85.8 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 192 |
| 물질 분류 | Nitrogen Compounds -> Quaternary Amines |
| Physical Description | White crystalline powderHygroscopic[Alfa Aesar MSDS] |
| 녹는점 | 171-174 °C |
| 끓는 점 | 213.3-593.92℃[at 101 325 Pa] |
| 밀도 | 1.01 |
| 증기압 | 0Pa at 25℃ |
| 저장 조건 | Store below +30°C. |
| 용해도 | H2O: 가용성 10%(w/v), 투명, 무색 |
| 물리적 상태 | 액체 |
| 색상 | 흰색에서 베이지색 |
| 비중 | 1.01 |
| 냄새 | 아민 같은 |
| pH | 1-2 (100g/l, H2O, 20℃) |
| 용해도 | 녹는 |
| BRN | 3599663 |
| 안정성 | 안정적이지만 습기에 민감합니다. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-41-5(2,3)4/h5-16H2,1-4H3(H2,1,2,3,4)/q+1/p-1 |
| InChIKey | SHFJWMWCIHQNCP-UHFFFAOYSA-M |
| SMILES | OS([O-])(=O)=O.CCCC[N+](CCCC)(CCCC)CCCC |
| LogP(분배 계수) | 0.96 at 25℃ |
| NIST | Tetrabutylammonium hydrogen sulfate(32503-27-8) |
| EPA | Tetrabutylammonium sulfate (1:1) (32503-27-8) |
화학적 성질
It is a stable, hygroscopic, white powder.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 231) of reports.DangerH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, 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 231 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1-Butanaminium, N,N,N-tributyl-, sulfate (1:1)Status: Active Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18908Tetrabutylammonium hydrogen sulphate: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (90.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29239000 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36-37/39 |
| 기존화학 물질 | KE-34030 |
| F 고인화성물질 | 8-10 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
A compound that displays antibacterial properties due to the presence of the quaternary amine and the counter ion. Tetrabutylammonium hydrogen sulfate is an ion pairing reagent that is used in liquid chromatography. It is frequently utilized in the analysis of pharmaceutical compounds and metabolites.
일반 설명
Tetrabutylammonium hydrogensulfate, a quaternary ammonium salt, is a phase-transfer reagent. It It serves as solvent for the dissolution of ruthenium(II) complex fac-[Ru(CO)2(H2O)3(C(O)C2H5)][CF3SO3]. It participates as a cocatalyst in the reaction medium for the preparation of alternating polyketones and propionic acid.
제조 및 합성 방법
제조 방법
Tetrabutylammonium hydrogen sulfate can be prepared from tetrabutylammonium azide by treating it with potassium hydrogen sulfate and 10% aqueous sulfuric acid in aqueous medium or from tetrabutylammonium thiocyanate by treating it with relatively concentrated sulfuric acid (70%) at 75 °C.