기본 정보
- CAS
69087-46-3- 표준 SMILES
O=C(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F- InChIKey
OHNPEJVXZTXULX-UHFFFAOYSA-N- 분자식
- C8HF13O4
- 평균 분자량
- 408.07 g/mol
- 단동위원소 질량
- 407.9667246
이름 및 식별자
- 우선 이름
- Propanoic acid, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-
- IUPAC
- 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoic acid
- 영어명
- 3-[1-[Difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
- 분자식
- C8HF13O4
- 분자량
- 408.07
이름 및 동의어
Tetrafluoro-3-(trifluoro-1-(trifluoromethyl)-2-((trifluorovinyl)oxy)ethoxy) propionic acid3-(1-(Difluoro((trifluorovinyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropionic acidPropanoic acid, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-Propanoic acid, 3-(1-(difluoro((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-3-[1-[Difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropionic acidPropanoic acid, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-RefChem:86934569087-46-33-[1-[Difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tertrafluoropropanoic acidPerfluoro-3-{[1-(ethenyloxy)propan-2-yl]oxy}propanoic acidEVE acidSCHEMBL1182505
이름 더 보기
3-[1-[Difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 549
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroethercarboxylic acids
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Collision Cross Section146.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
물리화학적 성질
- 끓는 점
- 263.5 · 263.5±40.0 °C(Predicted)
- 밀도
- 1.757 · 1.757±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.57 · 0.57±0.10(Predicted)
- EPA
- 3 · 3-[1-[Difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropionic acid (69087-46-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationPropanoic acid, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-: INACTIVE
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