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850012-44-1

850012-44-1 Structure

850012-44-1 Structure
IdentificationBack Directory
[Name]

4-bromo-2-tert-butylphenylamine
[CAS]

850012-44-1
[Synonyms]

4-bromo-2-(tert-butyl)aniline
2-tert-butyl-4-bromobenzenamine
4-bromo-2-tert-butylphenylamine
5-bromo-3-chloro-2-hydrazinylpyrazine
4-bromo-2-tert-butylaniline hydrochloride
Benzenamine, 4-bromo-2-(1,1-dimethylethyl)-
[Molecular Formula]

C10H14BrN
[MDL Number]

MFCD09965991
[MOL File]

850012-44-1.mol
[Molecular Weight]

228.13
Chemical PropertiesBack Directory
[Boiling point ]

146-147 °C(Press: 9 Torr)
[density ]

1.306±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

3.08±0.10(Predicted)
[color ]

Light Yellow
[InChI]

InChI=1S/C10H14BrN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3
[InChIKey]

MRHVSOBPZBXNEB-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(Br)C=C1C(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2921490090
Hazard InformationBack Directory
[Uses]

4-Bromo-2-tert-butylaniline is an intermediate in the synthesis of 1-(2-tert-Butyl-4-bromophenyl)pyrrolidin-2-one (T135885), which is an intermediate in the preparation of [1,1'':3'',1'''']terphenyl-4-carboxylic acid and esters as ligands modulating retinoic acid receptors (RAR).
[Synthesis]

4-Bromo-2-tert-butylaniline is an organic compound that can be synthesized by a variety of methods, including the reaction of 4-bromoaniline with tert-butyl chloride in the presence of a Lewis acid catalyst.

Spectrum DetailBack Directory
[Spectrum Detail]

4-bromo-2-tert-butylphenylamine(850012-44-1)1HNMR
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