CAS 60469-70-7 tert-Butylamine HydroBromide - Materials / Alfa Chemistry

NAVIGATION

tert-Butylamine HydroBromide

PRICE INQUIRY

Catalog Number

ACM60469707-3

CAS Number

60469-70-7

Product Name

tert-Butylamine HydroBromide

Structure

Category

Electronic Materials; Perovskite Solar Cell (PSC) Materials

Synonyms

tert-Butylammonium Bromide

IUPAC Name

2-methylpropan-2-amine;hydrobromide

Molecular Weight

154.05 g/mol

Molecular Formula

C4H11N•HBr

Canonical SMILES

CC(C)(C)N.Br

InChI

InChI=1S/C4H11N.BrH/c1-4(2,3)5;/h5H2,1-3H3;1H

InChI Key

CQKAPARXKPTKBK-UHFFFAOYSA-N

Melting Point

350 °C

Purity

>98.0%(T)(N)

Appearance

White to Almost white powder to crystal

Application

tert-Butylamine HydroBromide plays a crucial role in advancing solar cell technology by serving as a precursor for organohalide-based perovskites. It enables the synthesis of mixed cation or anion perovskites, optimizing key attributes such as band gap, carrier diffusion length, and power conversion efficiency in perovskite-based solar cells. The presence of a tert-butyl bulky group enhances the structural alteration of perovskites, improving their solubility and stability by reducing moisture sensitivity compared to 3D methylammonium-based perovskites. Additionally, it contributes to the formation of plate-like 2D-phase crystallites within 3D perovskite grains, significantly enhancing crystallinity due to the inclusion of bulky alkyl groups in the perovskite structure.

Storage

Store under inert gas

Color

White to Almost White Powder to crystal

Complexity

25.1

Covalently-Bonded Unit Count

EC Number

262-253-5

Exact Mass

153.01531g/mol

Form

Solid

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00674188

MeSH Entry Terms

tert-butylamine;tert-butylamine hydrobromide;tert-butylamine hydrochloride;tert-butylamine hydroiodide;tert-butylamine monolithium salt;tert-butylamine perchlorate;tert-butylamine sulfate (2:1);tert-butylamine thiocyanate;tert-butylamine, conjugate acid

Monoisotopic Mass

153.01531g/mol

NSC Number

225071

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

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