t-Butylammonium Iodide

HCID 22344722

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39557-45-4
표준 SMILES: CC(C)(C)[NH3+].[I-]
InChIKey: NLJDBTZLVTWXRG-UHFFFAOYSA-N
분자식: C4H12IN
평균 분자량: 201.05 g/mol

이름 및 식별자

우선 이름: t-Butylammonium Iodide
IUPAC: tert-butylazanium iodide
영어명: tert-Butylamine Hydroiodide
분자식: C4H12IN
분자량: 201.05

이름 및 동의어

t-butylammonium iodideRefChem:890177807-959-1tert-butylammonium iodidet-butylammoniumiodidetertbutylammonium iodidetert-butyl ammonium iodidetert-butyl ammonium-iodidetertiary butyl ammonium iodideNLJDBTZLVTWXRG-UHFFFAOYSA-NC(CH3)3NH3I(t-BAI)tert-Butylamine Hydroiodide

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 27.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 25.1

물리화학적 성질

녹는점: 270.5 °C · 270.5°C
수용성: 물에 용해됨
물리적 상태: 가루
색상: 분말/결정

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 29211990
risk_code: 22-36/37/38
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요Tert-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.

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

일반 설명t-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.