1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane (HCID 67733)

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 물성

XLogP: 5.4
극성 표면적: 0 Å²
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 · 6건

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFalkyliodides (PFAI)

PFAS -> Intentionally added food contact chemicals

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(lit.)
밀도: 2.063 g/mL · 2.063 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.329(lit.)
인화점: 117 °C · 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
Specific Gravity: 2.063 · 2.063
수용성: 불용성
BRN: 1802118 · 1802118
Henry's Law Constant: 4.6 · 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: 1 · 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

GHS Classification · 5건

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 · 3건

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: 29034700
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25-37/39-26-37
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 8
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 550,000 - <1,000,000 lb

Industry UsesIntermediate

Use Classification · 2건

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PFalkyliodides (PFAI)

General Manufacturing Information · 2건

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 · 2건

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.