tert-ブチルアミンよう化水素酸塩

t-Butylammonium Iodide

HCID 22344722

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 39557-45-4
標準SMILES: CC(C)(C)[NH3+].[I-]
InChIKey: NLJDBTZLVTWXRG-UHFFFAOYSA-N
分子式: C4H12IN
平均分子量: 201.05 g/mol

名称と識別子

優先名称: t-Butylammonium Iodide
IUPAC: tert-butylazanium iodide
現地名: tert-ブチルアミンよう化水素酸塩
英語名: tert-Butylamine Hydroiodide
分子式: C4H12IN
分子量: 201.05

名称と別名

t-butylammonium iodideRefChem:890177807-959-1tert-butylammonium iodidet-butylammoniumiodidetertbutylammonium iodidetert-butyl ammonium iodidetert-butyl ammonium-iodidetertiary butyl ammonium iodideNLJDBTZLVTWXRG-UHFFFAOYSA-Ntert-ブチルアミンよう化水素酸塩C(CH3)3NH3I(t-BAI)

名称をさらに表示

tert-Butylamine Hydroiodide2-Methyl-2-propanaminium iodidetert-Butylamine Hydroiodide >2-methylpropan-2-amine:hydroiodidetert-Butylamine Hydroiodide

データベース識別子

CAS: 39557-45-4
PubChem CID: 22344722
EC Number: 807-959-1

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

融点: 270.5 °C · 270.5°C
水溶解度: Soluble in water
外見: 粉
色: 粉末・結晶

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

安全データ

wgk: WGK 3
hs_code: 29211990
risk_code: 22-36/37/38
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

説明Tert-butylammonium iodide, (tBAI) is used as a perovskite precursor to enable 2D structures with smoother films achieve higher PCEs for perovskite LEDs and solar cells.

使用The iodide and bromide based alkylated halides find applications as precursors for fabrication of perovskites for photovoltaic applications.

一般的な説明t-Butylammonium iodide is an ammonium salt the facilitates the formation of highly stable perovskites with good performances. It can be used as an A-site cation that can be combined with methylammonium lead iodide to produce dimethylammonium, iso-propylammonium, and t-butylammonium lead iodide perovskites.