tert-ブチルアミン臭化水素酸塩

Tert-butyl ammonium bromide

HCID 21584498

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基本情報

CAS: 60469-70-7
標準SMILES: CC(C)(C)[NH3+].[Br-]
InChIKey: CQKAPARXKPTKBK-UHFFFAOYSA-N
分子式: C4H12BrN
平均分子量: 154.05 g/mol

概要

See also: 2-Propanamine, 2-methyl-, hydrobromide (preferred).

名称と識別子

優先名称: Tert-butyl ammonium bromide
IUPAC: tert-butylazanium bromide
現地名: tert-ブチルアミン臭化水素酸塩
英語名: tert-butylamine hydrobromide
分子式: C4H12BrN
分子量: 154.05

名称と別名

t-butyl ammonium bromidetert.butylammonium bromidetert-butyl ammonium bromidetert-butyl-ammonium bromidetert.butyl ammonium bromidetert-ブチルアミン臭化水素酸塩Nsc225071C(CH3)3NH3Br(t-BABr)tert-butylamine hydrobromidetert-Butylamine Hydrobromide

データベース識別子

CAS: 60469-70-7
PubChem CID: 21584498

物性

構造計算による物性

極性表面積: 27.6 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 25.1

物理化学的性質

水溶解度: Soluble in water
外見: powder to crystal
InChI: 1S/C4H11N.BrH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKey: CQKAPARXKPTKBK-UHFFFAOYSA-N
色: 粉末・結晶

安全と法規制

安全データ

wgk: WGK 3
hs_code: 2921.29.0055
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明Bearing atert-butyl bulky group, t-butylammonium bromide (tBABr) is commonly used to alter perovskite structures to promote material solubility and device stability - by making them less sensitive to moisture (compared to 3D methylammonium-based perovskites).

使用Organohalide based perovskites have emerged as an important class of material for solar cell applications. Our perovskites precursors are useful for synthesizing mixed cation or anion perovskites needed for the optimization of the band gap, carrier diffusion length and power conversion efficiency of perovskites based solar cells.

調製方法

純化方法Recrystallise the salt several times from absolute EtOH or by dissolving in absolute EtOH and adding Et2O slowly to crystallise the salt. Dry it thoroughly at 105o. [IR: Chenon & Sandorfy Can J Chem 36 1181 1958, Beilstein 4 IV 659.]