1-부틸-1-(33….-트리데카플루오로옥틸)-
1-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazolium hexafluorophosphate
기본 정보
- CAS
313475-52-4- 표준 SMILES
CCCC[n+]1ccn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.F[P-](F)(F)(F)(F)F- InChIKey
XPWVKMRONQMDKR-UHFFFAOYSA-N- 분자식
- C15H16F19N2P
- 평균 분자량
- 616.24 g/mol
- 단동위원소 질량
- 616.0747706
이름 및 식별자
- 우선 이름
- 1-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazolium hexafluorophosphate
- IUPAC
- 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium hexafluorophosphate
- 현지명
- 1-부틸-1-(33….-트리데카플루오로옥틸)-
- 영어명
- 1H-Imidazolium, 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, hexafluorophosphate(1-) (1:1)
- 분자식
- C15H16F19N2P
- 분자량
- 616.25
이름 및 동의어
1-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazolium hexafluorophosphateRefChem:430971622-808-8313475-52-41-Butyl-3-(1H,1H,2H,2H-perfluorooctyl)imidazolium hexafluorophosphate3-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium hexafluorophosphate1-Butyl-1-(3 3 ....-tridecafluorooctyl)-1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium;hexafluorophosphate3-Butyl-1-((perfluorohexyl)eth-2-yl)-1H-imidazol-3-ium hexafluorophosphateSCHEMBL19475616SCHEMBL21837196DTXSID00585029
이름 더 보기
1-부틸-1-(33….-트리데카플루오로옥틸)-1-BUTYL-1-(3,3,....-TRIDECAFLUOROOCTYL)-IMIDAZOLIUM-PF61H-Imidazolium, 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, hexafluorophosphate(1-) (1:1)
XPWVKMRONQMDKR-UHFFFAOYSA-NNS000189333-Butyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium hexafluoridophosphate(1-)
데이터베이스 식별자
- CAS
313475-52-4- PubChem CID
- 16218768
- DTXSID
DTXSID00585029- EC Number
- 622-808-8
물성
구조 계산 물성
- 극성 표면적
- 8.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 636
실험 및 물리화학적 성질
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
물리화학적 성질
- 녹는점
- 120 · 120-122 °C
- EPA
- 3 · 3-Butyl-1-((perfluorohexyl)eth-2-yl)-1H-imidazol-3-ium hexafluorophosphate (313475-52-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-21
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
관련 반응
0건
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