기본 정보
- 표준 SMILES
CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F- InChIKey
IXQYBUDWDLYNMA-UHFFFAOYSA-N- 분자식
- C8H15F6N2P
- 평균 분자량
- 284.18 g/mol
- 단동위원소 질량
- 284.08770443
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1-Butyl-3-methylimidazolium hexafluorophosphate
- IUPAC
- 1-butyl-3-methylimidazol-3-ium hexafluorophosphate
- 영어명
- 1-Butyl-3-methylimidazolium hexafluorophosphate
- 분자식
- C8H15F6N2P
- 분자량
- 284.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
174501-64-5- PubChem CID
- 2734174
- DTXSID
DTXSID4047911- ChEMBL
CHEMBL3184676- UNII
- ZGE3N4O8Q9
- EC Number
- 678-095-9
- Nikkaji
- J3.798.247D
물성
구조 계산 물성
- 극성 표면적
- 8.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 156
물리화학적 성질
- 녹는점
- 6.5 °C · 6.5 °C
- 끓는 점
- 340 °C · >340°C
- 밀도
- 1.38 g/mL · 1.38 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.41
- 인화점
- 350 °C · >350°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 아세톤, 메탄올에 용해됨
- 물리적 상태
- 점성 액체
- Specific Gravity
- 1.396 · 1.396
- 색상
- 무색~담황색 투명
- 수소이온지수(pH)
- 5 · 5 (H2O, 20℃)
- 수용성
- 디클로로메탄, 클로로포름, 에틸 아세테이트와 혼합 가능. 물, 디에틸에테르, 헥산과 섞이지 않습니다.
- Merck
- 14 · 14,1581
- InChI
- 1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1
- InChIKey
- IXQYBUDWDLYNMA-UHFFFAOYSA-N
- SMILES
- F[P-](F)(F)(F)(F)F.CCCCn1cc[n+](C)c1
화학적 성질
Clear pale yellow oil
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 29339900
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39
- 위험 등급
- IRRITANT
- F 고인화성물질
- 3-10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도those consisting of tetrafluoroborate, alkylsulfate, alkylsulfonate, carboxylate, or phosphate anions are hydrophilic and are completely dissolved in water. Dupont and coworkers first reported stable hydrophobic imidazolium salt, 1-butyl-3-methylimidazolium hexafluorophosphate ([C4mim][PF6]) in 1996. Since then, this salt has been used as a typical hydrophobic IL in many chemical reactions because its mixture with water forms a biphasic layer. Furthermore, this IL shows poor solubility in hexane or ether, which allows realization of an easy work-up process. However, [C4mim][PF6] was reported to be sensitive to the moisture at high temperature and produced hazardous hydrogen fluoride as it decomposed. Therefore, bis(trifluoromethanesulfonyl)amide (NTf2) salts are now recommended as the anion for preparing hydrophobic ILs.
일반 설명1-Butyl-3-methylimidazolium hexafluorophosphate is an imidazolium-based, hydrophobic, room temperature ionic liquid (RTIL). It can be prepared by reacting 1-methylimidazole with chlorobutane. Gaseous hydrofluorocarbons (HFCs) such as fluoromethane, fluoroethane and 1,1,2,2-tetrafluoroethane are soluble in BMIMPF6.
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