기본 정보
- CAS
67969-69-1- 표준 SMILES
CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.N.N- InChIKey
QANWDYJVELNYTF-UHFFFAOYSA-N- 분자식
- C12H11F17NO6PS.2H3N
- 평균 분자량
- 685.29 g/mol
- 단동위원소 질량
- 685.0304222
이름 및 식별자
- 우선 이름
- 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, ammonium salt (1:2)
- IUPAC
- azane;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl dihydrogen phosphate
이름 및 동의어
1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, ammonium salt (1:2)1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, diammonium salt1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, diammonium salt1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, ammonium salt (1:2)RefChem:43517367969-69-1Diammonium N-ethylheptadecafluoro-N-(2-(phosphonatooxy)ethyl)octanesulphonamidateH9Y5CA933Uazane;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl dihydrogen phosphateDiammonium 2-(N-ethyl(perfluorooctane)sulfonamido)ethyl phosphateDiammonium N-ethylheptadecafluoro-N-[2-(phosphonatooxy)ethyl]octanesulphonamidateEINECS 267-977-5
이름 더 보기
UNII-H9Y5CA933UAKOS015897488N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-1-octanesulfonamide, ammonium saltDIAMMONIUM MONO(N-ETHYL-2-PERFLUOROOCTYLSULFONAMINOETHYL) PHOSPHATEN-ETHYL-N-(2-HYDROXYETHYL)PERFLUOROOCTANESULFONAMIDE PHOSPHATE MONOESTER DIAMMONIUM SALT
물성
구조 계산 물성
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,000
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> non-polymer
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, diammonium salt
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationIMAP assessments - Indirect Precursors of Perfluorooctane Sulfonate (PFOS): Human health tier II assessment
화학 및 산업
용도 및 제조
Uses
non-polymer PFAS -> Paper and packaging -> Food-contact articles
• Paper and packaging (also for food) [Ref: 3M. 1999. Fluorochemical Use, Distribution and Release Overview.]
General Manufacturing Information1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, ammonium salt (1:2): ACTIVE
관련 반응
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