CAS 2043-55-2 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane (HCID 74887)

名称と識別子

優先名称: 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane
IUPAC: 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
現地名: 1H,1H,2H,2H-ノナフルオロヘキシルヨージド
英語名: 1H,1H,2H,2H-Perfluorohexyl iodide
分子式: C6H4F9I
分子量: 373.99

名称と別名

2043-55-21,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODOHEXANEHexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-7JN3IKF9RXEINECS 218-055-61,1,2,2-TetrahydroperfluorohexyliodideCXHFIVFPHDGZIS-UHFFFAOYSA-1,1,2,2-Tetrahydroperfluorohexyl iodideRefChem:409347218-055-6InChI=1/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H21H,1H,2H,2H-Perfluorohexyl iodide

名称をさらに表示

1H,1H,2H,2H-ノナフルオロヘキシルヨージド1,1,1,2,2,3,3,4,4-ノナフルオロ-6-ヨードヘキサン3,3,4,4,5,5,6,6,6-ノナフルオロヘキシルヨージド1-ヨード-3,3,4,4,5,5,6,6,6-ノナフルオロヘキサンよう化2-(パーフルオロブチル)エチルヨウ化1H,1H,2H,2H-ペルフルオロヘキシル1H,1H,2H,2H-ノナフルオロヘキシルヨージド1H,1H,2H,2H-ペルフルオロヘキシルヨージド2-(ノナフルオロブチル)エチルヨージド1H,1H,2H,2H-パーフルオロ-1-ヨードヘキサン1H,1H,2H,2H-パーフルオロヘキシルヨージドよう化1H,1H,2H,2H-パーフルオロヘキシル1H,1H,2H,2H-パーフルオロ-1-ヨードヘキサン, 97%uoro-1-iodohexaneNonafluoro-6-iodohexanePerfluorobutyl ethyl iodidePerfluorobutyl ethyl iodine2-(PERFLUOROBUTYL)ETHYL IODIDE2-(Perfluorobutyl) Ethyl Iodides

C6H4F9I2-(Nonafluorobutyl)ethyl IodideMFCD000394091H,1H,2H,2H-Nonafluorohexyl Iodide1-iodo-1h,1h,2h,2h-nonafluorohexaneDTXSID10475786-Iodo-1,1,1,2,2,3,3,4,4-nonafluorohexane2-(Perfluobutyl) Ethyl Iodide

データベース識別子

CAS: 2043-55-2
PubChem CID: 74887
DTXSID: DTXSID1047578
ChEMBL: CHEMBL3184514
UNII: 7JN3IKF9RX
EC Number: 218-055-6
Nikkaji: J298.664G

物性

構造計算による物性

XLogP: 4.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 243

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: -25 °C · -25°C
沸点: 138 °C · 138 °C
比重(密度): 1.94 g/mL · 1.94 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.370
闪点: 138 · 138-140°C
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Soluble), Methanol (Slightly)
外見: clear liquid
比重: 1.94 · 1.940
色: Colorless to Light yellow to Light red
BRN: 1870862 · 1870862
Henry's Law Constant: 8.8 · 8.8×10-7 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
CAS データベース: 2043 · 2043-55-2(CAS DataBase Reference)
EPAの化学物質情報: 1 · Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo- (2043-55-2)

化学的性質

化学的特性Red liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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-nonafluoro-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)

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

法規制情報

Regulatory Information · 2 件

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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-nonafluoro-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)

Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-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.

安全データ

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29037800
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb；2022: <50,000 lb；2021: 250,000 - <550,000 lb；2020: <50,000 lb

Use Classification · 2 件

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

PFAS -> F-telomer iodides (FI)

General Manufacturing InformationHexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-: ACTIVE

応用分野 · 2 件

説明1H,1H,2H,2H-Perfluorohexyl iodide is a polyfluorinated iodine alkane (PFI). This compound consists of an even-numbered hydrophobic alkyl chain (typically C4–C12), which is wholly or partially fluorinated and includes an iodine atom at one or both ends. PFIs are reaction products synthesized from the telomerization process by iodine pentafluoride reacting with unsaturated taxogen molecules such as tetrafluoroethylene and ethylene. PFIs are used as critical industrial intermediates for producing various PFCs, such as fluorotelomer alcohols, olefins, and acrylate monomers[1].

使用1H,1H,2H,2H-Perfluorohexyl iodide has been used for the study for fluorinated phosphonium ionic liquids as a reagent, and in general is used as a reactant in organic reactions.