CAS 54962-75-3

3-Bromo-5-(trifluoromethyl)aniline

Description:

3-Bromo-5-(trifluoromethyl)aniline is an organic compound characterized by its aromatic structure, featuring a bromine atom and a trifluoromethyl group attached to an aniline moiety. The presence of the bromine atom at the meta position (3-position) and the trifluoromethyl group at the para position (5-position) significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a solid at room temperature and is known for its potential applications in pharmaceuticals, agrochemicals, and materials science due to its unique electronic properties imparted by the electronegative trifluoromethyl group. The trifluoromethyl group enhances lipophilicity and can improve the bioavailability of compounds in medicinal chemistry. Additionally, 3-Bromo-5-(trifluoromethyl)aniline can participate in various chemical reactions, such as nucleophilic substitutions and coupling reactions, making it a valuable intermediate in synthetic organic chemistry. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.

Formula: C₇H₅BrF₃N

InChI: InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

InChI key: InChIKey=HJTLKVYOWNTDPF-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(Br)=CC(N)=C1

Synonyms:

• 3-Amino-5-Bromo Benzo Trifluoride
• 3-Amino-5-bromo-1-trifluoromethylbenzene
• 3-Bromo-5-(trifluoromethyl)aniline
• 3-Bromo-5-(trifluoromethyl)benzenamine
• 3-Bromo-5-Trifluoromethyl-Phenylamine
• 3-Bromo-5-trifluoromethylaniline
• Benzenamine, 3-bromo-5-(trifluoromethyl)-
• 3-Amino-5-bromobenzotrifluoride

3-Bromo-5-(trifluoromethyl)aniline

CAS: 54962-75-3

Formula: C₇H₅BrF₃N

Purity: 98%

Color and Shape: Liquid

Molecular weight: 240.0205

Ref: IN-DA0033L3

3-Bromo-5-(trifluoromethyl)aniline (3-Amino-5-bromobenzotrifluoride)

CAS: 54962-75-3

Color and Shape: Neat

Ref: 86-MM3374.09

3-Amino-5-bromobenzotrifluoride

CAS: 54962-75-3

Formula: C₇H₅BrF₃N

Purity: >98.0%(GC)

Color and Shape: Colorless to Yellow to Orange clear liquid

Molecular weight: 240.02

Ref: 3B-A1914

3-Amino-5-bromobenzotrifluoride

CAS: 54962-75-3

3-Amino-5-bromobenzotrifluoride

Formula: C₇H₅BrF₃N

Purity: 98%

Color and Shape: Very Pale Yellow To Yellow Or Even Reddish Yellow Liquid

Molecular weight: 240.02g/mol

Ref: 54-PC3204

3-Amino-5-bromobenzotrifluoride

CAS: 54962-75-3

Formula: C₇H₅BrF₃N

Purity: 98%

Color and Shape: Liquid

Molecular weight: 240.023

Ref: 10-F007821

3-​Amino-​5-​bromobenzotrifluorid​e

Controlled Product

CAS: 54962-75-3

Applications 3-​Amino-​5-​bromobenzotrifluorid​e is a general chemical reagent used in the synthesis of is a general chemical reagent used in the synthesis of trifluoromethylphenyl derivatives of methylguanidines as PET radioligands.
References aumiec, G. et al.: J. Med. Chem., 58, 9722 (2015);

Formula: C₇H₅BrF₃N

Color and Shape: Colourless To Light Yellow

Molecular weight: 240.0205

Ref: TR-A601585

Nilotinib Bromo Impurity

CAS: 54962-75-3

Formula: C₇H₅BrF₃N

Molecular weight: 240.02

Ref: ST-EA-CP-N11022

3-Bromo-5-(trifluoromethyl)aniline

CAS: 54962-75-3

3-Bromo-5-(trifluoromethyl)aniline is a synthetically useful compound that can be used for the synthesis of other organic compounds. It has been shown to react with nilotinib, an anticancer drug, to produce a reaction yield of 83%. This reaction was carried out in an impure environment and produced some impurities. The reaction was conducted using acetonitrile as the solvent and the desired product was obtained by using a high-performance liquid chromatography (HPLC) method. The resulting product was deuterated with deuterium gas. 3-Bromo-5-(trifluoromethyl)aniline is insoluble in water and soluble in organic solvents such as benzene, chloroform, dichloromethane, acetonitrile, and ether. The chemical formula for this substance is C8H4BrF3NO2.

Formula: C₇H₅BrF₃N

Purity: Min. 95%

Molecular weight: 240.02 g/mol

Ref: 3D-FB64312