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-オクチルブロミド
ヘプタデカフルオロ-n-オクチルブロミド · ペルフルブロン · イマゲント · ヘプタデカフルオロオクチルブロミド · イマジェント · 1-ブロモ-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 · ヘプタデカフルオロ-1-ブロモオクタン · 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-ブロモオクタン
識別子と物理属性
| CAS No. | 423-55-2 |
|---|---|
| 分子式 | C8BrF17 |
| 平均分子量 | 498.96 g/mol |
| 単同位体質量 | 497.89119 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)Br |
| InChIKey | WTWWXOGTJWMJHI-UHFFFAOYSA-N |
| PubChem CID | 9873 |
| ChEMBL | CHEMBL1200866 |
| ChEBI | CHEBI:38803 |
| EC No. | 207-028-4 |
| DTXSID | DTXSID5046560 |
| 現地名 | ヘプタデカフルオロ-n-オクチルブロミド |
化学・物理的性質
| XLogP | 6.9 |
|---|---|
| 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 |
| Kovats Retention Index | 581 |
| 融点 | 6 °C |
| 沸点 | 142 °C(lit.) |
| 密度 | 1.93 g/mL at 25 °C(lit.) |
| 蒸気圧 | 12.8-72hPa at 25-65℃ |
| 屈折率 | n20/D 1.305(lit.) |
| 引火点 | 141-143°C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | Soluble in DMSO混和しないか、水に混ざりにくい。 |
| 外観・状態 | 粘性溶液 |
| 比重 | 1.930 |
| 色 | 無色～黄褐色 |
| Merck | 14,7156 |
| BRN | 2016022 |
| 化粧品成分の機能 | 溶媒 |
| InChI | 1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26 |
| InChIKey | WTWWXOGTJWMJHI-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)Br |
| LogP（分配係数） | 6.1 at 25℃ |
| CAS データベース | 423-55-2(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Bromoheptadecafluorooctane (423-55-2) |
化学的特性
clear colorless liquid
安全性と法規制
| GHS 分類 | WarningH315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 55 reports by companies from 9 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.H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
|---|---|
| 規制情報 | Status: Active Update: 22-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23055 |
| Hazard Classes and Categories | Skin Irrit. 2 (90.9%)Eye Irrit. 2 (90.9%)STOT SE 3 (89.1%)Hazardous to the aquatic environment (Long-term) - Category 4 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | RG8700000 |
| 輸送番号（UN） | 2810 |
| 毒性 | LD50 i.v. in female rats: 41 g/kg (Burgan) |
| 税関コード | 29037800 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 26-37/39 |
| 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
用途
有機合成原料。
使用
1-BroMoheptadecafluorooctane can be used as oxygen carrier in emulsions used as blood substitutes.
一般的な説明
1-Bromoheptadecafluorooctane (perfluorooctyl bromide) is a perfluorocarbon. Poly(ethylene glycol)ylated polyester nanocapsules of perfluorooctyl bromide were surface-decorated with a RGD (arginine-glycine-aspartic acid) peptide, were used for tumor imaging. Nanocapsules of perfluorooctyl bromide have been developed as dual contrast agent for ultrasonography and Magnetic Resonance Imaging (MRI).