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기본 정보
- CAS
371771-07-2- 표준 SMILES
Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)=O- InChIKey
BMWUVXGFZUPLIC-UHFFFAOYSA-N- 분자식
- C23H23F7N2O3S
- 평균 분자량
- 540.5 g/mol
이름 및 식별자
- 우선 이름
- N-(2-methylsulfinyl-1,1-dimethyl-ethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)phenyl)phthalamide
- IUPAC
- 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfinylpropan-2-yl)benzene-1,2-dicarboxamide
이름 및 동의어
N-(2-Methylsulfinyl-1,1-dimethyl-ethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)phenyl)phthalamideEC 609-338-9N-(2-methylsulfinyl-1,1-dimethyl-ethyl)-N'-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamideRefChem:825657609-338-9371771-07-2N-(2-Methylsulfinyl-1,1-dimethyl-ethyl)-N'-{2-methyl-4-[perfluoroisopropyl]phenyl}phthalamideSCHEMBL5180322DTXSID90893387NS000015662-{[4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylphenyl]carbamoyl}-N-[1-(methanesulfinyl)-2-methylpropan-2-yl]benzene-1-carboximidic acidN2-[1,1-dimethyl-2-(methyl-sulfinyl)ethyl]-N1-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}-1,2-benzenedicarboxamide
데이터베이스 식별자
- CAS
371771-07-2- PubChem CID
- 22066255
- DTXSID
DTXSID90893387- EC Number
- 609-338-9
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 818
실험 및 물리화학적 성질
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
PFAS -> OECD Category
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 07-11-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1893
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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