化工社化工社 化学情報印刷レポート · 研究参考用
(2-ブロモエチル)シクロヘキサン
2-ブロモエチルシクロヘキサン · 2-シクロヘキシルエチルブロミド · (2-ブロモエチル)シクロヘキサン · 1-ブロモ-2-シクロヘキシルエタン · (2-ブロモエチル)シクロヘキサン, 99% · 1-BROMO-2-CYCLOHEXYLETHANE · NSC 6078 · NSC 46808
識別子と物理属性
| CAS No. | 1647-26-3 |
|---|---|
| 分子式 | C8H15Br |
| 平均分子量 | 191.11 g/mol |
| 単同位体質量 | 190.03571 g/mol |
| SMILES | BrCCC1CCCCC1 |
| InChIKey | JRQAAYVLPPGEHT-UHFFFAOYSA-N |
| PubChem CID | 15440 |
| EC No. | 216-712-1 |
| DTXSID | DTXSID9075111 |
| 現地名 | (2-ブロモエチル)シクロヘキサン |
化学・物理的性質
| XLogP | 4.1 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 2 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 65 |
| 融点 | 57°C |
| 沸点 | 209 °C (lit.) |
| 密度 | 1.221 g/mL at 25 °C (lit.) |
| 屈折率 | 1.4900 |
| 引火点 | 96°C |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | クロロホルム（少量）、酢酸エチル（少量） |
| 外観・状態 | 液体 |
| 色 | 無色透明～微黄色透明 |
| BRN | 1919816 |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | JRQAAYVLPPGEHT-UHFFFAOYSA-N |
| SMILES | BrCCC1CCCCC1 |
| CAS データベース | 1647-26-3(CAS DataBase Reference) |
| EPAの化学物質情報 | Cyclohexane, (2-bromoethyl)- (1647-26-3) |
化学的特性
2-CYCLOHEXYLETHYL BROMIDE is colourless to yellow liquid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): 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 6 reports by companies from 3 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (33.3%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29021900 |
| 危険文句（R） | 36/38 |
| 安全措置（S） | 26-36 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2-CYCLOHEXYLETHYL BROMIDE is a reagent used in the cross-coupling and Grignard reactions. It is used in the synthesis of immunosuppressive agents consisting of 5-phenylalkoxypsoralens as well as agon ists for human vitamin-D resistant Rickets.
一般的な説明
1-Bromo-2-cyclohexylethane is a halogenated hydrocarbon. Reaction of 1-bromo-2-cyclohexylethane with pillar[5]arene has been investigated.