칼륨 과플루오로헥산설폰산
Potassium perfluorohexanesulfonate
기본 정보
- CAS
3871-99-6- 표준 SMILES
O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]- InChIKey
RSCGQEBKFSGWJT-UHFFFAOYSA-M- 분자식
- C6F13KO3S
- 평균 분자량
- 438.21 g/mol
- 단동위원소 질량
- 437.8997634
이름 및 식별자
- 우선 이름
- Potassium perfluorohexanesulfonate
- IUPAC
- potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
- 현지명
- 칼륨 과플루오로헥산설폰산
- 영어명
- Perfluorohexanesulfonic acid potassium salt
- 분자식
- C6F13KO3S
- 분자량
- 438.2
이름 및 동의어
3871-99-6Potassium perfluorohexanesulfonatePotassium perfluorohexane-1-sulphonateDTXSID3037709potassium tridecafluorohexane-1-sulfonate1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt4Y7972M53LDTXCID10177091-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt (1:1)RefChem:175571223-393-2potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
이름 더 보기
칼륨과플루오로헥산설폰산칼륨과플루오로헥산설폰산(POTASSIUMPERFLUOROHEXANESULFONATE)Perfluorohexyl sulfonateuorohexane-1-suLPERFLUOROHEXANESULFONICPerfluorohexyl sulphonate, 98%Potassium PerflurohexanesulfonatePotassium perfluorhexyl sulfonatePotassium perfluorohexane-1-sulfonate
Perfluorohexanesulfonic acid potassium saltTridecafluorohexane-1-sulfonic acid potassium saltTridecafluorohexanesulfonic Acid Potassium Saltpotassium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate1-Hexanesulfonic acid,1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt (1:1)C6F13KO3STridecafluorohexanesulfonic Acid Potassium Salt (Mixture of Isomers)UNII-4Y7972M53L
데이터베이스 식별자
- CAS
3871-99-6- PubChem CID
- 23678874
- DTXSID
DTXSID3037709- ChEMBL
CHEMBL1902140- UNII
- 4Y7972M53L
- EC Number
- 223-393-2
- Nikkaji
- J217.726I
물성
구조 계산 물성
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 559
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS
물리화학적 성질
- 녹는점
- 250 °C · >250°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
- 색상
- 하얀색
- 안정성
- 흡습성
- InChI
- InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1
- InChIKey
- RSCGQEBKFSGWJT-UHFFFAOYSA-M
- SMILES
- C(F)(F)(C(F)(F)C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)F.[K+]
- EPA
- 1 · 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt (3871-99-6)
화학적 성질
White to faint beige solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: potassium perfluorohexane-1-sulphonate
Substance: Potassium perfluorohexane-1-sulphonate
1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Perfluoroalkyl sulfonates (PFSA) (C5-C7) and their direct precursors: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (97.4%)
Acute toxicity - category 3
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
Perfluorohexanesulfonate, potassium (PFHxS salt)
화학 및 산업
용도 및 제조
Uses
• Mist suppressant for solvent extraction metal electrowinning [Ref: CAS2019 (WO9530783)]
non-polymer PFAS -> Manufacture of Metal Products -> Treatment and coating of metal
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt (1:1): ACTIVE
응용 분야
일반 설명Tridecafluorohexane-1-sulfonic acid potassium salt (PFHxS), also known as potassium perfluorohexanesulfonate, is a perfluorochemical (PFC) that belongs to the perfluoroalkyl sulfonates group. Its presence as a contaminant in the effluents of Taiwanese industrial wastewater treatment plant (IWWTP) and municipal wastewater treatment plants (MWWTPs) has been evaluated. It has been detected in the human serum samples by on-line solid-phase extraction (SPE) method coupled to high-performance liquid chromatography (HPLC)-tandem mass spectrometry (MS/MS).
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