2-부타논, 1,1,1,2,4,4,4,헵타플루오로-3-(트리플루오로메틸)-
1,1,1,3,4,4,4-Heptafluoro-3-(trifluoromethyl)butan-2-one
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기본 정보
- CAS
756-12-7- 표준 SMILES
O=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
ABQIAHFCJGVSDJ-UHFFFAOYSA-N- 분자식
- C5F10O
- 평균 분자량
- 266.04 g/mol
- 단동위원소 질량
- 265.97894682
이름 및 식별자
- 우선 이름
- 1,1,1,3,4,4,4-Heptafluoro-3-(trifluoromethyl)butan-2-one
- IUPAC
- 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-one
- 현지명
- 2-부타논, 1,1,1,2,4,4,4,헵타플루오로-3-(트리플루오로메틸)-
- 영어명
- HEPTAFLUOROISOPROPYL TRIFLUOROMETHYL KETONE
- 분자식
- C5F10O
- 분자량
- 266.04
이름 및 동의어
1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-one1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)-2-butanoneDTXSID60556977EC 690-995-32-Butanone, 1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethyl)-2-Butanone, 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)-RefChem:409407DTXCID30507759690-995-3756-12-7Heptafluoroisopropyl trifluoromethyl ketoneMFCD07784237
이름 더 보기
2-부타논,1,1,1,2,4,4,4,헵타플루오로-3-(트리플루오로메틸)-헵타플루오로이소프로필트리플루오로메틸케톤PerfluoropentanonePerfluoro(3-methylbutan-2-one)98%Perfluoro(3-methylbutan-2-one) 98%Heptafluoroisopropyl trifluoromethyltrifluoromethyl(perfluoroisopropyl)ketoneHeptafluoroisopropyltrifluoromethylketone98%Heptafluoroisopropyl trifluoromethyl ketone 98%
Perfluoro(3-methylbutan-2-one)2-Butanone,1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)-HEPTAFLUOROISOPROPYLTRIFLUOROMETHYLKETONECF3COCF(CF3)2CF3C(O)CF(CF3)2SCHEMBL945902Perfluoro(3-methyl-2-butanone)perfluoro-(3-methylbutan-2-on)
데이터베이스 식별자
- CAS
756-12-7- PubChem CID
- 14175377
- DTXSID
DTXSID60556977- EC Number
- 690-995-3
- Nikkaji
- J24.222E
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 265
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
물리화학적 성질
- 끓는 점
- 24 · 24
- 밀도
- 1.633 · 1.633±0.06 g/cm3(Predicted)
- 증기압
- 94.659 kPa · 94.659kPa at 25℃
- 물리적 상태
- 액체
- LogP
- 1.82 · 1.82
- EPA
- 2 · 2-Butanone, 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)- (756-12-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Butanone, 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanone, 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31606
2-Butanone, 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesEye Irrit. 2 (28.6%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2933399990
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information2-Butanone, 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)-: ACTIVE
관련 반응
12건
화합물 노트
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