기본 정보
- CAS
21055-88-9- 표준 SMILES
CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OCCN(CC)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)c1)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
UTFFCBMSUHQFKN-UHFFFAOYSA-N- 분자식
- C33H26F34N4O8S2
- 평균 분자량
- 1,316.7 g/mol
- 단동위원소 질량
- 1,316.0649137
이름 및 식별자
- 우선 이름
- Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis(2-(ethyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)ethyl) ester
- IUPAC
- 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl N-[3-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethoxycarbonylamino]-4-methylphenyl]carbamate
- 현지명
- 비스[2-[에틸[(헵타데카플루오로옥틸)술포닐]아미노]에틸](4-메틸-1,3-페닐렌)비스카르바메이트
- 영어명
- bis[2-[ethyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl] (4-methyl-1,3-phenylene)biscarbamate
- 분자식
- C33H26F34N4O8S2
- 분자량
- 1316.66
이름 및 동의어
21055-88-9EINECS 244-181-6Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-(ethyl((heptadecafluorooctyl)sulfonyl)amino)ethyl) esterCarbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis(2-(ethyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)ethyl) esterCarbamic acid, (4-methyl-1,3-phenylene)bis-, bis[2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl] esterCarbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis[2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl] esterRefChem:123392Bis(2-(ethyl((heptadecafluorooctyl)sulphonyl)amino)ethyl) (4-methyl-1,3-phenylene)biscarbamate2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl N-[3-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethoxycarbonylamino]-4-methylphenyl]carbamateBis[2-[ethyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl] (4-methyl-1,3-phenylene)biscarbamate
물성
구조 계산 물성
- XLogP
- 12.6
- 극성 표면적
- 168 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 44
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 2,440
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
물리화학적 성질
- EPA
- Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis[2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl] ester (21055-88-9)
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 InformationCarbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis[2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl] ester: INACTIVE
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