Perfluorooctyl iodide (HCID 10491)

名称と識別子

優先名称: Perfluorooctyl iodide
IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
現地名: ヘプタデカフルオロ-n-オクチルヨージド
英語名: Perfluorooctyl iodide
分子式: C8F17I
分子量: 545.96

名称と別名

Perfluorooctyl iodide507-63-1Heptadecafluoro-1-iodooctane1-Iodoperfluorooctane1-IodoheptadecafluorooctanePerfluoro-1-iodooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-DTXSID0060147072985Y799RefChem:171673DTXCID6040901208-079-5

名称をさらに表示

ヘプタデカフルオロ-n-オクチルヨージド1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-ヘプタデカフルオロ-8-ヨードオクタン1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロ-1-ヨードオクタン1-ヨード-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロオクタンペルフルオロオクチルヨージドヘプタデカフルオロオクチルヨージド1-ヨードヘプタデカフルオロオクタンパ-フルオロアルキルアイオダイドよう化パーフルオロオクチルヨウ化ペルフルオロオクチルヘプタデカフルオロ-n-オクチルヨージドペルフルオロ-n-オクチルヨージドヘプタデカフルオロ-1-ヨードオクタンパーフルオロオクチルヨージドTI-8C1014NH7uorooctyLPerfluorooctyl iodinePerfluorooctyliodide98%

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctaneHeptadecafluoro-n-octyl IodideC8F17IMFCD00001064OCTANE, HEPTADECAFLUORO-1-IODO-Perfluoro-n-octyl IodideBRN 1717141EINECS 208-079-5

データベース識別子

CAS: 507-63-1
PubChem CID: 10491
DTXSID: DTXSID0060147
UNII: 072985Y799
EC Number: 208-079-5
Nikkaji: J97.538I

物性

構造計算による物性

XLogP: 6.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 17
回転可能結合数: 6
重原子数: 26
形式電荷: 0
複雑度: 527

実験および物理化学的性質

Physical Description · 2 件

Liquid

Clear light pink solid or liquid; mp = 25 deg C; [Acros Organics MSDS]

物理化学的性質

融点: 25 °C · 25 °C
沸点: 160 · 160-161 °C(lit.)
比重(密度): 2.067 g/mL · 2.067 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.329(lit.)
闪点: 160 · 160-161°C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム、酢酸エチル（微量）、メタノール（微量）
外見: 融解後の液体
色: 無色透明～黄色または薄桃色
BRN: 1717141 · 1717141
InChI: 1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
InChIKey: KWXGJTSJUKTDQU-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(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: 507 · 507-63-1(CAS DataBase Reference)
NISTの化学物質情報: Perfluorooctyl iodide(507-63-1)
EPAの化学物質情報: 1 · Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- (507-63-1)

化学的性質

化学的特性clear light pink liquid after melting

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.

Warning

H315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (78.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (76.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (10.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 7 of 65 reports by companies.；There are 9 notifications provided by 58 of 65 reports by companies with hazard statement code(s).；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 · 3 件

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-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)

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Heptadecafluoro-1-iodooctane；EC: 208-079-5；Date of inclusion in the POPs Regulation: 15-Jun-2020；POPs Regulation Annex: Annex I, part A; Annex IV

Hazards SummaryIntravenous LD50 (mouse) = 7,500 mg/kg; [RTECS] An irritant; [Acros Organics MSDS] See Perfluoromethylcyclohexane.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (78.5%)；Eye Irrit. 2 (78.5%)；STOT SE 3 (76.9%)；Aquatic Chronic 4 (10.8%)

Hazardous to the aquatic environment (Long-term) - Category 4

法規制情報

Regulatory Information · 3 件

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-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)

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Heptadecafluoro-1-iodooctane；EC: 208-079-5；Date of inclusion in the POPs Regulation: 15-Jun-2020；POPs Regulation Annex: Annex I, part A; Annex IV

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: RG9700050
ridadr: UN 2922
毒性: LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74
hs_code: 29037800
risk_code: 36/37/38
化審法: (2)-90
安衛法: 57,57-2
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36-37/39
hazard_class: 6.1(b)
packing_group: III
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

薬理情報

MeSH Pharmacological Classification · 3 件

Substances used to allow enhanced visualization of tissues.

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

Agents that increase energy expenditure and weight loss by neural and metabolic regulation.

用途と製造

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

Industry UsesIntermediate

Use Classification · 2 件

PFAS -> PFalkyliodides (PFAI)

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

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-: ACTIVE

応用分野

使用Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.