기본 정보
- CAS
2991-50-6- 표준 SMILES
CCN(CC(=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- InChIKey
CKRXVVGETMYFIO-UHFFFAOYSA-N- 분자식
- C8F17SO2N(C2H5)CH2COOH
- 평균 분자량
- 585.24 g/mol
- 단동위원소 질량
- 584.9902577
개요
N-ethylperfluorooctane sulfonamidoacetic acid is a sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid. It has a role as a xenobiotic and an environmental contaminant. It is a monocarboxylic acid, a sulfonamide and an organofluorine compound.
이름 및 식별자
- 우선 이름
- N-Ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine
- IUPAC
- 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetic acid
- 현지명
- N-에틸-N-[(헵타데카플루오로옥틸)술포닐]글리신
- 영어명
- N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine
- 분자식
- C12H8F17NO4S
- 분자량
- 585.23
이름 및 동의어
2991-50-6N-ETHYL-N-[(HEPTADECAFLUOROOCTYL)SULPHONYL]GLYCINEN-ethylperfluorooctane sulfonamidoacetic acid2-(N-Ethylperfluorooctanesulfonamido)acetic acidEtFOSAADTXSID5062760CHEBI:835072-(N-ethyl-perfluorooctane sulfonamido) acetic acidGlycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)-N-Ethyl-N-((heptadecafluorooctyl)sulphonyl)glycine2-(N-Ethyl-perfluorooctane sulfonamido) acetic acid (Et-PFOSA-AcOH)N-ETHYL-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUOROOCTYL)SULFONYL)GLYCINE
이름 더 보기
N-에틸-N-[(헵타데카플루오로옥틸)술포닐]글리신Einecs 221-061-1N-(Heptadecafluorooctylsulfonyl)-N-ethylglycineN-Ethyl-N-heptadecylfluorooctane sulfonyl glycineN-Ethylperfluoro-1-n-octanesulfonamidoacetic acidGlycine, N-ethyl-N-((heptadecafluorooctyl)sulfonyl)-[(Heptadecafluorooctylsulfonyl)(ethyl)amino]acetic acid
RefChem:1113557221-061-12-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetic acidNEtFOSAAN-Ethyl-N-(perfluoro-1-octanesulfonyl) GlycineMFCD32200806IT4R503EPHC12H8F17NO4S
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 905
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkylsulfonamides
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS (C12H8F17NO4S)
PFAS -> Identified in migrating and extractable food contact chemical data
PFAS -> OECD Category
Collision Cross Section
197.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
196.81 Ų [M-H]-
물리화학적 성질
- 끓는 점
- 343.4 · 343.4±52.0 °C(Predicted)
- 밀도
- 1.708 · 1.708±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 mg/ml; · DMF: 2 mg/ml; DMSO: 2 mg/ml
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.93 · 2.93±0.10(Predicted)
- 주요 응용
- PFAS 테스트
- InChIKey
- CKRXVVGETMYFIO-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S](=O)(=O)N(CC)CC(=O)O
- EPA
- N-Ethyl perfluorooctanesulfonamidoacetic acid (2991-50-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hazard Traits - Hazard Trait Undefined
S - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Carc. 2Lact.Repr. 1BSTOT RE 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
Usesnon-polymer PFAS -> Dispersions -> Dispersions of cells in clinical laboratories
Use Classification
PFAS -> PFalkylsulfonamidoacetic acids
PFAS (N-ethyl perfluorooctane sulfonamido acetic acid, n=8)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationGlycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]-: INACTIVE
응용 분야
용도N-Ethyl-N-(perfluoro-1-octanesulfonyl) Glycine can be used in biological study for transformation and bioaccumulation of N-Et perfluorooctane sulfonamide ethanol (N-EtFOSE) in soil-earthworm system.
상·하류 제품 정보
상류 원료
공급사19 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海稳同科技有限公司
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