化工社化工社 化学情報印刷レポート · 研究参考用
ヘプタデカフルオロ-n-オクチル ヨージド
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
識別子と物理属性
| CAS No. | 507-63-1 |
|---|---|
| 分子式 | C8F17I |
| 平均分子量 | 545.96 g/mol |
| 単同位体質量 | 545.87733 g/mol |
| 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 |
| PubChem CID | 10491 |
| EC No. | 208-079-5 |
| DTXSID | DTXSID0060147 |
| 現地名 | ヘプタデカフルオロ-n-オクチル ヨージド |
化学・物理的性質
| XLogP | 6.8 |
|---|---|
| 極性表面積 | 0 |
| 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 |
| Physical Description | LiquidClear light pink solid or liquidmp = 25 deg C[Acros Organics MSDS] |
| 融点 | 25 °C |
| 沸点 | 160-161 °C(lit.) |
| 密度 | 2.067 g/mL at 20 °C(lit.) |
| 屈折率 | n20/D 1.329(lit.) |
| 引火点 | 160-161°C |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 溶解度 | クロロホルム、酢酸エチル（微量）、メタノール（微量） |
| 外観・状態 | 融解後の液体 |
| 色 | 無色透明～黄色または薄桃色 |
| BRN | 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 | 507-63-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Perfluorooctyl iodide(507-63-1) |
| EPAの化学物質情報 | Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- (507-63-1) |
化学的特性
clear light pink liquid after melting
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.WarningH315 (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 exposureRespiratory 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. |
|---|---|
| 規制情報 | 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-iodooctaneEC: 208-079-5Date of inclusion in the POPs Regulation: 15-Jun-2020POPs Regulation Annex: Annex I, part AAnnex IV |
| 有害性の概要 | Intravenous LD50 (mouse) = 7,500 mg/kg[RTECS] An irritant[Acros Organics MSDS] See Perfluoromethylcyclohexane. |
| Hazard Classes and Categories | 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 |
| F | 8 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | RG9700050 |
| 輸送番号（UN） | UN 2922 |
| 毒性 | LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74 |
| 税関コード | 29037800 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (2)-90 |
| 安衛法 | 57,57-2 |
| 危険表示 | Xi |
| hazard_note | Harmful |
| 安全措置（S） | 26-36-37/39 |
| 危険等級 | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
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.