ヘプタデカフルオロ-n-オクチル ヨージド
Perfluorooctyl iodide
基本情報
- CAS
507-63-1- 標準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- InChIKey
KWXGJTSJUKTDQU-UHFFFAOYSA-N- 分子式
- C8F17I
- 平均分子量
- 545.96 g/mol
- 単同位体質量
- 545.87733
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 IodidePerfluoro-n-octyl IodideC8F17IHeptadecafluorooctyl iodideMFCD00001064OCTANE, HEPTADECAFLUORO-1-IODO-BRN 1717141
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 Ų
- 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
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> PFalkyliodides (PFAI)
PFAS -> OECD Category
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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]
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.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
危険有害性情報
Regulatory Information
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
Hazards SummaryIntravenous LD50 (mouse) = 7,500 mg/kg; [RTECS] An irritant; [Acros Organics MSDS] See Perfluoromethylcyclohexane.
Hazard Classes and Categories
Skin Irrit. 2 (78.5%)
Hazardous to the aquatic environment (Long-term) - Category 4
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RG9700050
化学と産業
薬理情報
MeSH Pharmacological Classification
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
Industry UsesIntermediate
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFalkyliodides (PFAI)
General Manufacturing Information
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.
上流・下流製品情報
下流製品
関連反応
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化合物ノート
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