퍼플루오로-1-요오도헥산
퍼플루오로-1-요오도헥산 · PERFLUOROHEXYL IODIDE · 1,1,1,2,2,3,3,4,4,5,5,6,6-TRIDECAFLUORO-6-IODOHEXANE · Perfluorohexyl iodine · TRIDECAFLUOROHEXYL IODIDE · Perfluoroiodohexane · TRIDECAFLUORO-1-IODOHEXANE · TI-6
식별자 및 물리적 특성
| CAS No. | 355-43-1 |
|---|---|
| 분자식 | C6F13I |
| 평균 분자량 | 445.95 g/mol |
| 단동위원소 질량 | 445.88371486 g/mol |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I |
| InChIKey | BULLJMKUVKYZDJ-UHFFFAOYSA-N |
| PubChem CID | 67733 |
| EC No. | 206-586-6 |
| DTXSID | DTXSID7047566 |
| 현지명 | 퍼플루오로-1-요오도헥산 |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 13 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 366 |
| PFAS | PFAS -> OECD CategoryPFAS -> Other/unspecifiedPFAS -> PFalkyliodides (PFAI)PFAS -> Intentionally added food contact chemicals |
| SpringerMaterials Properties | Optical coefficient |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Liquid |
| 녹는점 | -45 °C |
| 끓는 점 | 117 °C(lit.) |
| 밀도 | 2.063 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.329(lit.) |
| 인화점 | 117°C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 기름 |
| 색상 | 옅은 분홍색 |
| 비중 | 2.063 |
| 용해도 | 불용성 |
| BRN | 1802118 |
| 헨리 상수 | 4.6×10-4 mol/(m3Pa) at 25℃, Abusallout et al. (2022) |
| 안정성 | 안정적인. |
| InChI | 1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 |
| InChIKey | BULLJMKUVKYZDJ-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I |
| NIST | Perfluorohexyl iodide(355-43-1) |
| EPA | Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- (355-43-1) |
화학적 성질
liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.WarningH315 (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. |
|---|---|
| 규제 정보 | 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/24058Hexane, 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 Categories | Skin Irrit. 2 (46.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2810 |
| 관세 코드 | 29034700 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25-37/39-26-37 |
| 포장분류 | III |
| 위험 등급 | 6.1(b) |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Perfluorohexyl 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 설명
Perfluorohexyl 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.