テトラブチルホスホニウム ブロミド
テトラブチルホスホニウム ブロミド · テトラブチルホスホニウム=ブロミド · テトラブチルホスホニウム·ブロミド · テトラブチルホスホニウムブロミド · 臭化テトラブチルホスホニウム 臭化物 ブロマイド · 臭化テトラブチルホスホニウム · 臭化テトラ-N-ブチルホスホニウム · テトラ-N-ブチルホスホニウム=ブロミド
識別子と物理属性
| CAS No. | 3115-68-2 |
|---|---|
| 分子式 | C16H36BrP |
| 平均分子量 | 339.33 g/mol |
| 単同位体質量 | 338.17379988 g/mol |
| SMILES | CCCC[P+](CCCC)(CCCC)CCCC.[Br-] |
| InChIKey | RKHXQBLJXBGEKF-UHFFFAOYSA-M |
| PubChem CID | 76564 |
| ChEMBL | CHEMBL3185844 |
| EC No. | 221-487-8 |
| DTXSID | DTXSID6047945 |
| 現地名 | テトラブチルホスホニウム ブロミド |
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 | 1 |
| 回転可能結合数 | 12 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 116 |
| Physical Description | Liquid |
| 融点 | 100-103 °C(lit.) |
| 密度 | 1.8[at 20℃] |
| 蒸気圧 | 0.018Pa at 25℃ |
| 引火点 | 290 °C |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| 溶解度 | Chloroform (Slightly), Methanol (Slightly)約70g/100mL |
| 外観・状態 | 結晶 |
| 色 | 白い |
| BRN | 4160474 |
| 安定性 | 吸湿性 |
| InChI | 1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H31H/q+1/p-1 |
| InChIKey | JRMUNVKIHCOMHV-UHFFFAOYSA-M |
| SMILES | [Br-].CCCC[P+](CCCC)(CCCC)CCCC |
| LogP（分配係数） | -0.44 at 23℃ |
| CAS データベース | 3115-68-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Phosphonium bromide, tetrabutyl(3115-68-2) |
| EPAの化学物質情報 | Phosphonium, tetrabutyl-, bromide (3115-68-2) |
化学的特性
Tetrabutylphosphonium bromide is WHITE TO CREAM CRYSTALLINE POWDER
安全性と法規制
| GHS 分類 | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 規制情報 | Phosphonium, tetrabutyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, tetrabutyl-, bromide (1:1) 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)Status: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18995Tetrabutylphosphonium: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%)Skin corrosion/irritation - Category 2Skin sensitization - Category 1B |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TA2417000 |
| 輸送番号（UN） | UN 3464 6.1/PG 3 |
| 毒性 | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131, |
| 税関コード | 29310095 |
| 危険文句（R） | 21/22-36/37/38-24-20/21/22 |
| 化審法 | (2)-3487 |
| 危険表示 | Xn,T,Xi |
| 安全措置（S） | 26-37/39-45-36/37/39-28A-36 |
用途
用途
高温反応用相間移動触媒。ルテニウム錯体と用いて合成ガスからエチレングリコール合成触媒となる。
使用
Tetrabutylphosphonium bromide (TBPB) is a quaternary salt which can be used:As a medium to disperse ruthenium catalyst for the synthesis of ethylene glycol from synthesis gas via ruthenium melt catalysis.As a catalyst supported on silica or alumina for the halogen exchange reaction to synthesize alkyl bromide from alkyl chloride.To synthesize various ionic liquids on mixing with different proportions of 1,3-dimethylurea for capturing NO gas.As a hydrogen-bond acceptor along with levulinic acid as a hydrogen-bond donor for the preparation of deep eutectic solvents to separate toluene from toluene/n-hexane mixtures.To prepare ionic semiclathrate hydrates.
製法・合成法
合成方法
臭化ブチルとトリブチルホスフィンの混合物をアセトン中48時間還流させる