테트라뷰틸암모늄 황산
Tetrabutylammonium hydrogen sulfate
기본 정보
- CAS
32503-27-8- 표준 SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])O- InChIKey
SHFJWMWCIHQNCP-UHFFFAOYSA-M- 분자식
- C16H36N.HO4S
- 평균 분자량
- 339.5 g/mol
이름 및 식별자
- 우선 이름
- Tetrabutylammonium hydrogen sulfate
- IUPAC
- hydrogen sulfate;tetrabutylazanium
- 현지명
- 테트라뷰틸암모늄 황산
- 영어명
- Tetrabutylammonium hydrogen sulfate
- 분자식
- C16H37NO4S
- 분자량
- 339.53
이름 및 동의어
32503-27-8Tetrabutylammonium hydrogen sulfateTetrabutylammonium hydrogen sulphate1-Butanaminium, N,N,N-tributyl-, sulfate (1:1)RefChem:896764251-068-5Tetrabutylammonium hydrogensulfatetetra-n-Butylammonium hydrogen sulfateTetrabutylammonium bisulfateTetrabutylammonium sulfate (1:1)tetrabutylazanium hydrogen sulfatetetrabutyl ammonium hydrogen sulfate
이름 더 보기
테트라부틸암모늄하이드로겐설페이트테트라뷰틸암모늄황산테트라뷰틸암모늄황산(TETRABUTYLAMMONIUMHYDROGENSULFATE)TBAHSBu4NHSO4IPC-TBA-HSammonium hydrogTETRA-N-BUTYLAMMONIUM HYDROGENSULFATETETRA-N-BUTYLAMMONIUM HYDROGEN SULPHATETetrabutylaminium·sulfuric acid hydrogenanion
Tetrabutyl-ammonium hydrogen sulfatetetrabutylammonium hydrosulfatehydrogen sulfate,tetrabutylazaniumhydrogen sulfate;tetrabutylazaniumtetrabutyl-ammonium hydrogensulfateMFCD00011637TETRABUTYLAMMONIUMHYDROGENSULFATETetrabutylammonium (hydrogensulfate)
데이터베이스 식별자
- CAS
32503-27-8- PubChem CID
- 94433
- DTXSID
DTXSID4067690- ChEMBL
CHEMBL1079247- UNII
- KCU8DU7VEL
- EC Number
- 251-068-5
물성
구조 계산 물성
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 192
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite crystalline powder; Hygroscopic; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 171 · 171-174 °C
- 끓는 점
- 213.3 · 213.3-593.92℃[at 101 325 Pa]
- 밀도
- 1.01 · 1.01
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O: · H2O: 가용성 10%(w/v), 투명, 무색
- 물리적 상태
- 액체
- 색상
- 흰색에서 베이지색
- Specific Gravity
- 1.01 · 1.01
- 냄새
- 아민 같은
- 수소이온지수(pH)
- 1 · 1-2 (100g/l, H2O, 20℃)
- 수용성
- 녹는
- BRN
- 3599663 · 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)16-12-8-4;1-5(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
- 0.96 at · 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 231) of reports.
Danger
H302 (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.
유해성 정보
Regulatory Information
Chemical: 1-Butanaminium, N,N,N-tributyl-, sulfate (1:1)
Status: Active Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18908
Tetrabutylammonium hydrogen sulphate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29239000
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- 기존화학 물질
- KE-34030
- F 고인화성물질
- 8-10
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
용도 및 제조
General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, sulfate (1:1): ACTIVE
응용 분야
용도A 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 설명Tetrabutylammonium 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 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.
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