기본 정보
- CAS
5574-97-0- 표준 SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])(O)O- InChIKey
ARRNBPCNZJXHRJ-UHFFFAOYSA-M- 분자식
- C16H36N.H2O4P
- 평균 분자량
- 339.45 g/mol
- 단동위원소 질량
- 339.25384569
이름 및 식별자
- 우선 이름
- Tetrabutylammonium dihydrogen phosphate
- IUPAC
- dihydrogen phosphate;tetrabutylazanium
- 영어명
- Tetrabutylammonium phosphate
- 분자식
- C16H38NO4P
- 분자량
- 339.46
이름 및 동의어
5574-97-0Tetrabutylammonium dihydrogen phosphateTetrabutylammonium phosphate monobasic1-Butanaminium, N,N,N-tributyl-, phosphate (1:1)CRD3CJW5P4DTXSID4063951EINECS 226-947-1Tetranbutylammonium phosphateRefChem:896753DTXCID80419571Butanaminium, N,N,Ntributyl, phosphate (1:1)226-947-1
이름 더 보기
TetrabutylaMMoniuM phosphate, 99%, for ion-pair chroMatographyIPC-TBA-PTETRABUTYLAMMONIUM DIHYDROGENPHOSPHATE, 1.0M SOLUTION IN WATERSKL1477SKL1622SKL1625IPC(TM) A
TETRABUTYLAMMONIUM PHOSPHATEtetrabutylammonium dihydrogenphosphateTBAPdihydrogen phosphate;tetrabutylazaniumMFCD00064526tetrabutyl-ammonium dihydrogen phosphatetetrabutylammonium dihytetra-n-butylammonium phosphate
데이터베이스 식별자
- CAS
5574-97-0- PubChem CID
- 2735142
- DTXSID
DTXSID4063951- ChEMBL
CHEMBL1078808- UNII
- CRD3CJW5P4
- EC Number
- 226-947-1
물성
구조 계산 물성
- 극성 표면적
- 80.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 166
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 151 · 151-154 °C (lit.)
- 끓는 점
- 81 · 81-82 °C
- 밀도
- 1.037 g/mL · 1.037 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.369
- 인화점
- Not applicable
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO (Sparingly), Methanol (Soluble), Water (Soluble)
- 물리적 상태
- clear liquid
- 색상
- Colorless
- Specific Gravity
- 1.01 · 1.010
- 냄새
- 아민 같은
- 수소이온지수(pH)
- 7.1 to · 7.1 to 7.7(25 ℃)
- 수용성
- 녹는
- BRN
- 5196532 · 5196532
- InChI
- 1S/C16H36N.H3O4P/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;(H3,1,2,3,4)/q+1;/p-1
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 50% (6 of 12) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 1-Butanaminium, N,N,N-tributyl-, phosphate (1:1)
1-Butanaminium, N,N,N-tributyl-, phosphate (1:1): Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Tetrabutylammonium salts: Human health tier II assessment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Tetrabutylammonium hydroxide, Tetrabutylammonium hydrogen sulfate, Tetrabutylammonium hexafluorophosphate, and Tetrabutylammonium tetrafluoroborate.
Hazard Classes and Categories
Skin Irrit. 2 (50%)
Acute toxicity (ingestion) - category 4
안전 및 보호
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, phosphate (1:1): ACTIVE
응용 분야
용도Tetrabutylammonium phosphate monobasic solution 1.0 M in H2O is an anti-HIV-active nucleoside Triphosphate prodrugs.
일반 설명Concentrate for 6x1 L ready-to-use solution. Dilute contents of one ampule (~0.3 M) to 1 L with HPLC grade water to obtain a 0.005 M eluent solution.
상·하류 제품 정보
상류 원료
공급사100 곳
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