CAS 33725-74-5 Tetrabutylammonium borohydride (HCID 169536)

部分構造検索類似構造を探す

基本情報

CAS: 33725-74-5
標準SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[BH4-]
InChIKey: GMBOFJFPOCGSOI-UHFFFAOYSA-N
分子式: C16H40BN
平均分子量: 257.3 g/mol
単同位体質量: 257.32538068

概要

structure in first source

名称と識別子

優先名称: Tetrabutylammonium borohydride
IUPAC: boranuide;tetrabutylazanium
現地名: テトラブチルアンモニウムボロヒドリド
英語名: Tetrabutylammonium borohydride
分子式: C16H40BN
分子量: 257.31

名称と別名

Tetrabutylammonium borohydride33725-74-51-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-) (1:1)RefChem:430826251-658-2Tetrabutylammonium tetrahydroborateTetrabutylammonium boranateboranuide;tetrabutylazaniumTBABTetra Butyl Ammonium BorohydrideEINECS 251-658-21-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-)

名称をさらに表示

テトラブチルアンモニウムボロヒドリドテトラブチルアンモニウムボロハイドライドテトラヒドロほう酸テトラブチルアンモニウム水素化ホウ素テトラブチルアンモニウムテトラブチルアミニウム・ほう素アニオンCyanoborohydrideammonium borohydrideboranuide[Reducing Reagent]N,N,N-Tributyl-1-BTetrabutylammoniumboranatetetrabutylazanium boranuideTetrabutylammoniumBorohydrateetrabutylammonium borohydrideTETRABUTYLAMMONIUM BORHYDRIDE

N,N,N-Tributyl-1-butanaminium tetrahydroboratetetra-n-butyl ammonium borohydrideTetrabutylammonium borohydride, 98%tetrabutylammoniumborohydrideC16H40BNtetrahydro-Borate(1-) N,N,N-tributyl-1-butanaminium; Tetrabutylammonium Borohydride; Tetrabutylammonium Tetrahydroborate; Tetrabutylammonium tetrahydroborate(1-);SCHEMBL57921orb2939250

物性

構造計算による物性

極性表面積: 0 Å²
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

物理化学的性質

融点: 124 · 124-128 °C (lit.)
闪点: 140 ° · 140°(284°F)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（少量）、DMSO（少量、加熱、超音波処理）、メタノール（少量）
外見: 結晶性粉末およびチャンク
色: 白い
水溶解度: 溶ける
BRN: 4212332 · 4212332
安定性: 吸湿性、湿気に敏感
InChI: InChI=1S/C16H36N.BH4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H4/q+1;-1
InChIKey: GMBOFJFPOCGSOI-UHFFFAOYSA-N
SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[B+3]([H-])([H-])([H-])[H-]
CAS データベース: 33725 · 33725-74-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-) (33725-74-5)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]

P231+P232, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationREACH registered substance: Tetrabutylammonium tetrahydroborate (EC: 251-658-2)

Hazard Classes and CategoriesWater-react. 2 (100%)

安全データ

F: 10
wgk: 3
tsca: TSCA listed
ridadr: UN 3131 4.3/PG 2
PRTR法: 第一種指定化学物質
hs_code: 29239000
risk_code: 15-34-36/37/38
化審法: (2)-186, (2)-3044
消防法: 危-3-II
hazard_code: F,C,Xi
hazard_note: Flammable/Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-43-7/8-37/39-25
hazard_class: 4.3
packing_group: I
Hazard Classifications: Skin Corr. 1BWater-react 2

化学と産業

用途と製造

General Manufacturing Information1-Butanaminium, N,N,N-tributyl-, tetrahydroborate(1-) (1:1): ACTIVE

応用分野

用途有機合成原料。

使用Tetrabutylammonium Borohydride is a strong reducing agent used in the synthesis of hyperbranched polyglycerol grafting on the surface of silica-coated nanoparticles.

調製方法 · 1 件

純化方法Purify it by recrystallisation from EtOAc followed by careful drying under vacuum at 50-60o. Samples purified in this way showed no signs of loss of active H after storage at room temperature for more than 1year. Nevertheless samples should be stored at ca 6o in tightly stoppered bottles if kept for long periods. It is soluble in CH2Cl2. [Raber & Guida J Org Chem 41 690 1976, Br.ndstr.m et al. Tetrahedron Lett 3173 1972.]