CAS 60469-70-7 Tert-butyl ammonium bromide (HCID 21584498)

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Basic information

CAS: 60469-70-7
Standard SMILES: CC(C)(C)[NH3+].[Br-]
InChIKey: CQKAPARXKPTKBK-UHFFFAOYSA-N
Molecular formula: C4H12BrN
Average molar mass: 154.05 g/mol

Overview

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

Names & identifiers

Preferred name: Tert-butyl ammonium bromide
IUPAC: tert-butylazanium bromide
English name: tert-butylamine hydrobromide
Molecular formula: C4H12BrN
Molecular weight: 154.05

Names & synonyms

t-butyl ammonium bromidetert.butylammonium bromidetert-butyl ammonium bromidetert-butyl-ammonium bromidetert.butyl ammonium bromideNsc225071C(CH3)3NH3Br(t-BABr)tert-butylamine hydrobromidetert-Butylamine Hydrobromide

Database identifiers

CAS: 60469-70-7
PubChem CID: 21584498

Properties

Computed structural properties

Topological polar surface area: 27.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 25.1

Physicochemical properties

Water Solubility: Soluble in water
form: powder to crystal
InChI: 1S/C4H11N.BrH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChIKey: CQKAPARXKPTKBK-UHFFFAOYSA-N
FDA UNII: 857884 BW2 · R857884BW2
color: Powder/crystals
UNSPSC Code: 12352101 · 12352101
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · WGK 3
HS Code: 2921.29 · 2921.29.0055
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: WGK 3
hs_code: 2921.29.0055
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 2 items

DescriptionBearing 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).

UsesOrganohalide 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.