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542-11-0

542-11-0 Structure

542-11-0 Structure
IdentificationBack Directory
[Name]

ANILINE HYDROBROMIDE
[CAS]

542-11-0
[Synonyms]

aniliniumbromide
ANILINE HYDROBROMIDE
Phenylammonium bromide
benzenaminehydrobromide
Aniline·hydrogen bromide
benzenamine,hydrobromide
[EINECS(EC#)]

208-801-9
[Molecular Formula]

C6H8BrN
[MDL Number]

MFCD00035465
[MOL File]

542-11-0.mol
[Molecular Weight]

174.04
Chemical PropertiesBack Directory
[Melting point ]

285°C(dec.)(lit.)
[storage temp. ]

2-8°C, sealed storage, away from moisture
[Water Solubility ]

Soluble in water
[form ]

powder to crystal
[color ]

White to Light yellow to Dark green
[InChI]

1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
[InChIKey]

KBPWECBBZZNAIE-UHFFFAOYSA-N
[EPA Substance Registry System]

Aniline hydrobromide (542-11-0)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS05,GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H317-H318-H341-H351-H372-H400
[Precautionary statements ]

P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[HS Code ]

2921.42.9000
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Carc. 2
Eye Dam. 1
Muta. 2
Skin Sens. 1
STOT RE 1
Hazard InformationBack Directory
[Uses]

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.
[Purification Methods]

Crystallise the hydrobromide from water or EtOH and dry it at 5mm over P2O5. Also recrystallise it four times from MeOH containing a few drops of conc HBr by addition of pet ether (b 60-70o), then dry it to constant weight over paraffin chips in vacuo [Gutbezahl & Grunwald J Am Chem Soc 75 559 1953]. It precipitates from EtOH solution on addition of Et2O, and the filtered solid is recrystallised from EtOH and dried in vacuo. [Buchanan et al. J Am Chem Soc 108 1537 1986, Beilstein 12 III 232.]
Spectrum DetailBack Directory
[Spectrum Detail]

Aniline Hydrobromide(542-11-0)1HNMR
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