CAS 2043-57-4 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (HCID 74888)

名称と識別子

優先名称: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane
IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
現地名: 2-(トリデカフルオロヘキシル)エチルヨージド
英語名: 1H,1H,2H,2H-Perfluorooctyl iodide
分子式: C8H4F13I
分子量: 474

名称と別名

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane1H,1H,2H,2H-Perfluorooctyl iodide1-Iodo-1H,1H,2H,2H-perfluorooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-perfluorohexylethyl iodideDTXSID20475655GDR0T29RK1-Iodo-2-(perfluorohexyl)ethaneDTXCID0027565RefChem:708151H,1H,2H,2HPerfluoro1iodooctane1H,1H,2H,2HPerfluorooctyl iodide

名称をさらに表示

3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロ-1-ヨードオクタン1-ヨード-3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクタン1,1,1,2,2,3,3,4,4,5,5,6,6-トリデカフルオロ-8-ヨードオクタン2-(トリデカフルオロヘキシル)エチルヨージド3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチルヨージドよう化2-(パーフルオロヘキシル)エチル1H,1H,2H,2H-トリデカフルオロ-n-オクチルヨージド1H,1H,2H,2H-トリデカフルオロ-1-ヨード-n-オクタン1H,1H,2H,2H-ペルフルオロ-1-ヨード-n-オクタン1H,1H,2H,2H-ペルフルオロ-n-オクチルヨージド1H,1H,2H,2H-パーフルオロ-1-ヨードオクタン, 97%, STAB. WITH COPPER1-ヨード-1H,1H,2H,2H-トリデカフルオロオクタンよう化1H,1H,2H,2H-パーフルオロオクチル1H,1H,2H,2H-パーフルオロオクチルヨージドPerfluorohexaethyl iodine2-(PERFLUOROHEXYL)ETHYL IODIDE1h,1h,2h,2h-perfluoro-1-iodooctane2-(Tridecafluorohexyl)ethyl iodide1H,1H,2H,2H-Tridecafluoro-n-octyl Iodide1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-octanTEI-6C1014NH8uoro-8-iodooctane

1,1,2,2Tetrahydroperfluorooctyliodide1,1,2,2Tetrahydroperfluorooctyl iodide3,3,4,4,5,5,6,6,7,7,8,8,8tridecafluorooctyl iodide8lodo1,1,1,2,2,3,3,4,4,5,5,6,6tridecafluorooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6tridecafluoro8iodoNVVZEKTVIXIUKW-UHFFFAOYSA-N2043-57-4C8H4F13I

データベース識別子

CAS: 2043-57-4
PubChem CID: 74888
DTXSID: DTXSID2047565
ChEMBL: CHEMBL3185793
UNII: 5GDR0T29RK
EC Number: 218-056-1
Nikkaji: J28.293F

物性

構造計算による物性

XLogP: 6.2
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: 6
重原子数: 22
形式電荷: 0
複雑度: 395

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

PFAS · 6 件

PFAS -> Other/unspecified

PFAS

PFAS -> F-telomer iodides (FI)

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Vapor Pressure0.8 [mmHg]

Physical Description · 2 件

CBI; Liquid

Colorless liquid; Melting point approximately 20 deg C; [Alfa Aesar MSDS] Solidified mass or fragments; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 21 °C · 21 °C
沸点: 92 °C45 · 92 °C45 mm Hg(lit.)
比重(密度): 1.934 g/mL · 1.934 g/mL at 25 °C(lit.)
蒸気圧: 24 · 24-429Pa at 20-50℃
屈折率: 20 · n20/D 1.359(lit.)
闪点: 177 °F · 177 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: クロロホルム（可溶）、メタノール（微量）
外見: 液体
色: クリア
水溶解度: 不溶性
BRN: 1887105 · 1887105
Henry's Law Constant: 1.3 · 1.3×10-3 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
安定性: 揮発性
InChI: 1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
InChIKey: CHTNKOVIYUCLTB-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
LogP: 3.8 at · 3.8 at 20℃ and pH6.6-7.1
CAS データベース: 2043 · 2043-57-4(CAS DataBase Reference)
EPAの化学物質情報: 1 · Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo- (2043-57-4)

化学的性質

化学的特性clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 16.7% (9 of 54) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 6 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

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-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: 01-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5953

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-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.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Perfluorohexane.

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29037790
risk_code: 36/37/38
化審法: (2)-4010
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36-37/39
hazard_class: IRRITANT-HARMFUL
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as an intermediate consumed in synthesis; [ExPub: ECHA REACH Registrations]

U.S. Production2023: 400,000 - <550,000 lb

Industry UsesWaterproofing agent

Use Classification · 2 件

PFAS -> F-telomer iodides (FI)

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

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-: ACTIVE

応用分野

使用Perfluorohexylethyl Iodide, is a Polyfluorinated iodine alkanes (PFIs), which are important intermediates in the synthesis of organic fluoride products. It has also been shown to have potential estrogenic effects.