기본 정보
- 표준 SMILES
C[N+](C)(C)CCCNS(=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.[I-]- InChIKey
MLIMEVJPZQAQQE-UHFFFAOYSA-M- 분자식
- C14H16F17N2O2S.I
- 평균 분자량
- 726.23 g/mol
- 단동위원소 질량
- 725.97057649
이름 및 식별자
- 우선 이름
- (3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium iodide
- IUPAC
- 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium iodide
- 현지명
- N,N,N-트리메틸-3-((헵타데카플루오로옥틸)술포닐)아미노)-1- 프로판아미늄 요오드화물
- 영어명
- Perfluoroalkylsulfonyl quaternary ammonium iodide
- 분자식
- C14H16F17IN2O2S
- 분자량
- 726.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1652-63-7、68310-75-8- PubChem CID
- 84096
- DTXSID
DTXSID8051419- EC Number
- 216-716-3、269-732-8
물성
구조 계산 물성
- 극성 표면적
- 54.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 885
실험 및 물리화학적 성질
PFAS
PFAS -> OECD Category
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> non-polymer
물리화학적 성질
- 녹는점
- 274 °C · 274 °C (dec.)
- 밀도
- 1 · 1,6 g/cm3
- 저장 조건
- Stored in room temperature, ventilated place
- 물리적 상태
- Powder
- 색상
- Yellowish
- EPA
- 3 · 3-[[(Heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-1-propanaminium iodide (1652-63-7)
화학적 성질
Light yellow to yellow solid
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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodide
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-18226
화학 및 산업
용도 및 제조
Uses
non-polymer PFAS -> Personal Care products and cosmetics -> Hair shampoo
• Photographic recording materials having decreased adhesive properties [Ref: CAS2019 (DE2526970)]
응용 분야
용도Perfluoroalkylsulfonyl quaternary ammonium iodide is an important chemical with a wide range of uses. It can be used in the industrial treatment of wastewater, including industrial wastewater, sludge and effluent; in the semiconductor industry as a developer and sealer; in personal care and cosmetic formulations such as shampoos, rinses, conditioners, etc.; and in the pesticide industry as a botanical pesticide (especially in herbicide formulations). In addition, it is used in leather manufacturing, polymer electrolyte fuel cells, photographic materials, glass, laboratory supplies, and more.
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