기본 정보
- CAS
1941-27-1- 표준 SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=[N+]([O-])[O-]- InChIKey
QHOKENWFMZXSEU-UHFFFAOYSA-N- 분자식
- C16.H36.N.N.O3
- 평균 분자량
- 304.47 g/mol
- 단동위원소 질량
- 304.27259301
이름 및 식별자
- 우선 이름
- Tetrabutylammonium nitrate
- IUPAC
- tetrabutylazanium nitrate
- 영어명
- Tetrabutylammonium nitrate
- 분자식
- C16H36N2O3
- 분자량
- 304.48
이름 및 동의어
Tetrabutylammonium nitrate1941-27-1DTXSID80620761-Butanaminium, N,N,N-tributyl-, nitrate (1:1)RefChem:896771DTXCID7036080217-726-0Tetra-N-butylammonium nitrate1-Butanaminium, N,N,N-tributyl-, nitratetetrabutylazanium;nitratetetrabutylazanium nitratetetrabutyl-ammonium nitrate
이름 더 보기
TBANO3SKL1623N4,4,4,4NO3Tetrabutylammonium netrabutylazanium,nitratetetrabutyl-ammoniunitrateTetrabutylammonium nitrate,98%
MFCD00043202EINECS 217-726-0AMMONIUM, TETRABUTYL-, NITRATENSC 221165N-N-N-Tributyl-1-butanaminium nitrateC16H36N2O3tetrabutylazanium,nitratetetrabutylammonium;nitrate
데이터베이스 식별자
- CAS
1941-27-1- PubChem CID
- 16027
- DTXSID
DTXSID8062076- ChEMBL
CHEMBL1078150- EC Number
- 217-726-0
물성
구조 계산 물성
- 극성 표면적
- 62.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite hygroscopic crystals with a weak odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 116 · 116-118 °C (lit.)
- 끓는 점
- 445.28 °C · 445.28°C (rough estimate)
- 밀도
- 0.958 · 0.9580 (rough estimate)
- 굴절률
- 1.55 · 1.5500 (estimate)
- 용해도
- 0.1 g/mL, · 아세토니트릴: 0.1 g/mL, 투명, 무색
- 물리적 상태
- 미세 결정성 분말
- 색상
- 하얀색
- 수용성
- 2 g/100mL · <2g/100mL
- BRN
- 3921016 · 3921016
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. 흡습성 - 습기로부터 보호합니다.
- InChI
- InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
- InChIKey
- QHOKENWFMZXSEU-UHFFFAOYSA-N
- SMILES
- [N+](CCCC)(CCCC)(CCCC)CCCC.N([O-])(=O)=O
- EPA
- 1 · 1-Butanaminium, N,N,N-tributyl-, nitrate (1941-27-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H272 (95.8%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryIntravenous LD50 (mouse) = 10 mg/kg; [RTECS] An oxidizer that may cause fire on contact with combustible materials; An irritant; [Alfa Aesar MSDS] See NITRATES and NITRITES.
Hazard Classes and CategoriesOx. Sol. 2 (95.8%)
안전 및 보호
Protective Action Criteria (PAC)
0.033 [mg/m3]
0.36 [mg/m3]
2.2 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS5475000
- ridadr
- UN 1479 5.1/PG 2
- HS 번호
- 29239000
- risk_code
- 8-36/37/38-9
- hazard_code
- O,Xi
- safety_code
- 17-26-37/39
- 포장분류
- III
- 위험 등급
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-, nitrate (1:1): ACTIVE
응용 분야
용도Tetra-n-butylammonium nitrate is used in coatings, printing ink, rubber, glass, leather and cosmetics. It serves as a supporting electrolyte in liquid ammonia. It is also used in the preparation of nitrates from triflates. It is employed in the inversion of configuration of alcohols through tosylates. It is also a source of NO3- used in nucleophilic substitution reactions. Further, it is used in the conversion of halides into ketones. In addition to this, it is used as a source of nitronium ions for the nitration of olefins, amides, ribonucleosides, glycols and aromatic compounds.
제조 방법
Tetrabutylammonium nitrate (TBAN) is prepared from tetrabutylammonium bromide by passing through Amberlite anionic exchange resin with potassium nitrate. The filtrate is evaporated to dryness and recrystallized from benzene to give pure TBAN as a white crystalline solid.
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