基本情報
- 標準SMILES
CCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F- InChIKey
NNZZSJSQYOFZAM-UHFFFAOYSA-N- 分子式
- C16H36N.BF4
- 平均分子量
- 329.3 g/mol
- 単同位体質量
- 329.28769343
概要
forms a fluoride-releasing resin when used with bis-GMA
名称と識別子
- 優先名称
- Tetrabutylammonium Tetrafluoroborate
- IUPAC
- tetrabutylazanium tetrafluoroborate
- 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
- 英語名
- Tetrabutylammonium tetrafluoroborate
- 分子式
- C16H36BF4N
- 分子量
- 329.27
名称と別名
名称をさらに表示
データベース識別子
- CAS
429-42-5- PubChem CID
- 67932
- DTXSID
DTXSID7059983- ChEMBL
CHEMBL1078071- EC Number
- 207-058-8
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 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
実験および物理化学的性質
物理化学的性質
- 融点
- 155 · 155-161 °C(lit.)
- 闪点
- 93 ℃ · >93℃
- 貯蔵温度
- 20 °C · −20°C
- 溶解性
- 0.1 g/mL、透明、無色 · メタノール: 0.1 g/mL、透明、無色
- 外見
- 結晶性粉末
- 色
- 白い
- 水溶解度
- わずかに溶ける
- BRN
- 3577508 · 3577508
- InChI
- InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
- InChIKey
- DWWRDPSMLREDKW-UHFFFAOYSA-M
- SMILES
- [N+](CCCC)(CCCC)(CCCC)CCCC.[B-](F)(F)(F)F
- CAS データベース
- 429 · 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 · 1-Butanaminium, N,N,N-tributyl-, tetrafluoroborate(1-) (429-42-5)
化学的性質
化学的特性WHITE FINE CRYSTALLINE POWDER
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (1 of 99) of reports.
Danger
H302 (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.
危険有害性情報
Regulatory Information
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
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1759 8/PG III
- PRTR法
- 第一種指定化学物質
- hs_code
- 29239000
- risk_code
- 36/37/38-41-37/38-22
- 化審法
- (2)-186
- hazard_code
- Xi,T,Xn
- hazard_note
- Irritant/Hygroscopic
- safety_code
- 26-36-37/39-39
- hazard_class
- TOXIC, HYGROSCOPIC
- packing_group
- III
- 毒劇物取締法
- 劇物
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
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.
調製方法
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.]
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