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

名称と識別子

優先名称: 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
現地名: トリデカフルオロヘキシルヨージド
英語名: Perfluoro-1-iodohexane
分子式: C6F13I
分子量: 445.95

名称と別名

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

名称をさらに表示

トリデカフルオロヘキシルヨージド1-ヨード-1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロヘキサン1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロヘキシルヨージド1,1,1,2,2,3,3,4,4,5,5,6,6-トリデカフルオロ-6-ヨードヘキサンペルフルオロヘキシルヨージド1-ヨードトリデカフルオロヘキサン(トリデカフルオロヘキシル)ヨージド1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロ-1-ヨードヘキサンパーフルオロ-1-ヨードヘキサンよう化パーフルオロヘキシルトリデカフルオロ-1-ヨードヘキサンパーフルオロ-1-ヨードヘキサン, 98+%, STAB. WITH COPPERよう化パーフルオロ-N-ヘキシルパーフルオロヘキシルヨージドペルフルオロ-1-ヨードヘキサンPerfluorohexyl iodineTI-6C1014NH5uorohexyLTridecafL

MFCD00001063A2A17JUG4RDTXSID7047566UNII-A2A17JUG4REINECS 206-586-6PERFLUOROIODOHEXANEtridecafluoro-1-iodo-hexanetridecafluoro-n-hexyl iodide

データベース識別子

CAS: 355-43-1
PubChem CID: 67733
DTXSID: DTXSID7047566
UNII: A2A17JUG4R
EC Number: 206-586-6
Nikkaji: J97.536B

物性

構造計算による物性

XLogP: 5.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 13
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 366

実験および物理化学的性質

PFAS · 6 件

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

物理化学的性質

融点: -45 °C · -45 °C
沸点: 117 °C · 117 °C(lit.)
比重(密度): 2.063 g/mL · 2.063 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.329(lit.)
闪点: 117 °C · 117°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 油
色: 淡いピンク
比重: 2.063 · 2.063
水溶解度: 不溶性
BRN: 1802118 · 1802118
Henry's Law Constant: 4.6 · 4.6×10-4 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
安定性: 安定。
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
CAS データベース: 355 · 355-43-1(CAS DataBase Reference)
NISTの化学物質情報: Perfluorohexyl iodide(355-43-1)
EPAの化学物質情報: 1 · Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo- (355-43-1)

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29034700
risk_code: 36/37/38
化審法: (2)-90
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25-37/39-26-37
hazard_class: 6.1(b)
packing_group: III
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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

Industry UsesIntermediate

Use Classification · 2 件

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

PFAS -> PFalkyliodides (PFAI)

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-: ACTIVE

応用分野 · 2 件

使用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.

一般的な説明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.