퍼플루오로-1-요오도헥산
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane
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기본 정보
- CAS
355-43-1- 표준 SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I- InChIKey
BULLJMKUVKYZDJ-UHFFFAOYSA-N- 분자식
- C6F13I
- 평균 분자량
- 445.95 g/mol
- 단동위원소 질량
- 445.88371486
이름 및 식별자
- 우선 이름
- 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane
- 현지명
- 퍼플루오로-1-요오도헥산
- 영어명
- Perfluoro-1-iodohexane
- 분자식
- C6F13I
- 분자량
- 445.95
이름 및 동의어
Perfluorohexyl iodide1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexaneHexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-RefChem:409343355-43-1perfluoro-1-iodohexane1-IodoperfluorohexaneTridecafluorohexyl iodidePerfluoro-n-hexyl iodideC6F13I1-IodotridecafluorohexaneTridecafluoro-1-iodohexane
이름 더 보기
퍼플루오로-1-요오도헥산Perfluorohexyl iodineTI-6C1014NH5uorohexyLTridecafL
MFCD00001063A2A17JUG4RDTXSID7047566UNII-A2A17JUG4REINECS 206-586-6PERFLUOROIODOHEXANEtridecafluoro-1-iodo-hexanetridecafluoro-n-hexyl iodide
데이터베이스 식별자
- CAS
355-43-1- PubChem CID
- 67733
- DTXSID
DTXSID7047566- UNII
- A2A17JUG4R
- EC Number
- 206-586-6
- Nikkaji
- J97.536B
물성
구조 계산 물성보충 중
- XLogP
- 5.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 366
실험 및 물리화학적 성질
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> PFalkyliodides (PFAI)
PFAS -> Intentionally added food contact chemicals
PFAS -> Other/unspecified
PFAS -> Other/unspecified
SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -45 °C · -45 °C
- 끓는 점
- 117 °C · 117 °C
- 밀도
- 2.06 · 2.06
- 굴절률
- 1.33 · 1.33
- 인화점
- 115 °C · 115 °C - closed cup
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- clear liquid
- Specific Gravity
- 2.063 · 2.063
- 색상
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 3.3% (1 of 30) of reports.
Warning
H315 (46.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- 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)
Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24058
Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-: 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 CategoriesSkin Irrit. 2 (46.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- HS 번호
- 2903780000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26-37
화학 및 산업
용도 및 제조
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesIntermediate
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFalkyliodides (PFAI)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-: ACTIVE
응용 분야
용도Perfluorohexyl Iodide is an important intermediate in the synthesis of organic fluorides products. It also exhibits estrogenic activity in vitro. Perfluorohexyl Iodide is used in the screening assay for binding affinities of perfluoroalkyl iodide for estrogen receptor alpha and beta isoforms.
일반 설명Perfluorohexyl iodide forms 1:1 complexes with a variety of hydrogen-bond acceptors. It has been grafted onto the isocitronellene/propene copolymer by radical reaction yielding a poly(α-olefin) with fluorinated side chains. The radical addition of perfluorohexyl iodide to vinyl acetate, using azo-bis( isobutyronitrile) (AIBN) as an initiator, has been investigated.
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