기본 정보
- CAS
813-45-6- 표준 SMILES
O=C(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
SIVXJSMXRSOFRR-UHFFFAOYSA-N- 분자식
- C7F14O
- 평균 분자량
- 366.05 g/mol
- 단동위원소 질량
- 365.9725589
이름 및 식별자
- 우선 이름
- 1,1,1,2,4,4,5,5,6,6,6-Undecafluoro-2-(trifluoromethyl)-3-hexanone
- IUPAC
- 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one
이름 및 동의어
813-45-61,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-3-hexanoneDTXSID00880147RefChem:212785DTXCID7010217391,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-SCHEMBL942872Perfluoro-2-methylhexan-3-oneNS000192541,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethylhexan-3-one
데이터베이스 식별자
- CAS
813-45-6- PubChem CID
- 11143068
- DTXSID
DTXSID00880147- EC Number
- 858-074-2
- Nikkaji
- J953.677I
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 422
안전 및 규제
GHS 분류
GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-: ACTIVE
관련 반응
5건
화합물 노트
불러오는 중…