テトラブチルアンモニウムテトラフルオロボラート
テトラブチルアンモニウムテトラフルオロボラート · テトラブチルアミニウム·テトラフルオロボラート · N,N,N-トリブチルブタン-1-アミニウム·テトラフルオロボラート · テトラブチルアンモニウム·テトラフルオロボラート · テトラブチルアミニウム·テトラフルオロほう素アニオン · テトラフルオロほう酸テトラ-n-ブチルアンモニウム · ほうふっ化テトラ-N-ブチルアンモニウム · テトラｎブチルアンモニウム＝テトラフルオロボラト
識別子と物理属性
| CAS No. | 429-42-5 |
|---|---|
| 分子式 | C16H36N.BF4 |
| 平均分子量 | 329.3 g/mol |
| 単同位体質量 | 329.28769343 g/mol |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F |
| InChIKey | NNZZSJSQYOFZAM-UHFFFAOYSA-N |
| PubChem CID | 67932 |
| ChEMBL | CHEMBL1078071 |
| EC No. | 207-058-8 |
| DTXSID | DTXSID7059983 |
| 現地名 | テトラブチルアンモニウムテトラフルオロボラート |
化学・物理的性質
| 極性表面積 | 0 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 12 |
| 重原子数 | 22 |
| 形式電荷 | 0 |
| 複雑度 | 135 |
| 物質分類 | Nitrogen Compounds -> Quaternary Amines |
| Physical Description | White odorless powder[Alfa Aesar MSDS] |
| 融点 | 155-161 °C(lit.) |
| 引火点 | >93℃ |
| 貯蔵条件 | −20°C |
| 溶解度 | メタノール: 0.1 g/mL、透明、無色わずかに溶ける |
| 外観・状態 | 結晶性粉末 |
| 色 | 白い |
| BRN | 3577508 |
| InChI | InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-42-1(3,4)5/h5-16H2,1-4H3/q+1 |
| InChIKey | DWWRDPSMLREDKW-UHFFFAOYSA-M |
| SMILES | [N+](CCCC)(CCCC)(CCCC)CCCC.[B-](F)(F)(F)F |
| CAS データベース | 429-42-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Tetrabutylammonium tetrafluoroborate(429-42-5) |
| EPAの化学物質情報 | 1-Butanaminium, N,N,N-tributyl-, tetrafluoroborate(1-) (429-42-5) |
化学的特性
WHITE FINE CRYSTALLINE POWDER
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1% (1 of 99) of reports.DangerH302 (47.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 99 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Butanaminium, N,N,N-tributyl-, tetrafluoroborate(1-)Tetrabutylammonium tetrafluoroborate: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See Potassium tetrafluoroborate. |
| Hazard Classes and Categories | Acute Tox. 4 (47.5%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 1759 8/PG III |
| PRTR法 | 第一種指定化学物質 |
| 税関コード | 29239000 |
| 危険文句（R） | 36/37/38-41-37/38-22 |
| 化審法 | (2)-186 |
| 危険表示 | Xi,T,Xn |
| hazard_note | Irritant/Hygroscopic |
| 安全措置（S） | 26-36-37/39-39 |
| 危険等級 | TOXIC, HYGROSCOPICAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 毒劇物取締法 | 劇物 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
Tetrabutylammonium tetrafluoroborate may be used in the following studies: As supporting electrolyte in the voltammetric determination of Δ(9)-tetrahydrocannabinol (Δ(9)-THC). Synthesis of biologically relevant macrolactones, Sansalvamide A. As supporting electrolyte in the determination of the oxidation and reduction potentials of 5,10,15,20-tetra[3-(3-trifluoromethyl)phenoxy]porphyrin by cyclic voltammetry. Preparation of 1:1 adduct with 1,10-phenanthroline.Used to prepare other tetrabutylammonium salts in aqueous solutions. As electrolyte additive in the synthesis of conducting poly(thiophenes).
一般的な説明
Tetrabutylammonium tetrafluoroborate (TBATFB) is a phase transfer catalyst. It can be synthesized by the reaction between 30% aqueous solution of tetrafluoroboric acid and 40% aqueous solution of tetrabutylamonium hydroxide. Tetrabutylammonium tetrafluoroborate acts as an electrolyte and inhibits the self-assembly of alkylthiosulfate on gold.
製法・合成法
純化方法
Recrystallise it from H2O, aqueous EtOH or from EtOAc by cooling in Dry-ice. Also recrystallise it from ethyl acetate/pentane or dry acetonitrile. Dry it at 80o under vacuum. [Detty & Jones J Am Chem Soc 109 5666 1987, Hartley & Faulkner J Am Chem Soc 107 3436 1985.] The acetate has m 118±2o (from BuCl), the bromide has m 118o (from EtOAc) and the nitrate has m 120o (from *C6H6). [Witschonka & Kraus J Am Chem Soc 69 2472 1947, Wheeler & Sandstedt J Am Chem Soc 77 2024 1955, Beilstein 4 IV 558.]