CAS 401-78-5

1-Bromo-3-(trifluoromethyl)benzene

Description:

1-Bromo-3-(trifluoromethyl)benzene, with the CAS number 401-78-5, is an aromatic halide characterized by the presence of a bromine atom and a trifluoromethyl group attached to a benzene ring. This compound features a bromine substituent at the meta position relative to the trifluoromethyl group, which significantly influences its chemical properties. It is a colorless to pale yellow liquid with a distinctive aromatic odor. The trifluoromethyl group enhances the compound's lipophilicity and stability, making it useful in various chemical applications, including as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, the presence of both bromine and trifluoromethyl groups can impart unique reactivity patterns, allowing for diverse functionalization reactions. 1-Bromo-3-(trifluoromethyl)benzene is also notable for its relatively low solubility in water and higher solubility in organic solvents, which is typical for halogenated aromatic compounds. Safety precautions should be observed when handling this substance due to its potential toxicity and environmental impact.

Formula: C₇H₄BrF₃

InChI: InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

InChI key: InChIKey=NNMBNYHMJRJUBC-UHFFFAOYSA-N

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

Synonyms:

• 1-Bromo-3-(Trifluoromethyl)Benzene
• 2-Bromo-4-trifluoromethylbenzene
• 3-(Trifluoromethyl)-1-bromobenzene
• 3-(Trifluoromethyl)bromobenzene
• 3-(Trifluoromethyl)phenyl bromide
• 3-Bromo-1-trifluoromethylbenzene
• 3-Bromo-Alpha,Alpha,Alpha-Trifluorotoluene
• 3-Bromo-Α,Α,Α-Trifluorotoluene
• 3-Bromobenzofluride
• 3-Bromobenzyltrifluoride
• 3-Bromotrifluoromethylbenzene
• 3-Bromotrifluorotoluene
• Benzene, 1-bromo-3-(trifluoromethyl)-
• NSC 9468
• Toluene, m-bromo-α,α,α-trifluoro-
• m-(Trifluoromethyl)bromobenzene
• m-(Trifluoromethyl)phenyl bromide
• m-Bromo(trifluoromethyl)benzene
• m-Bromo-α,α,α-trifluorotoluene
• m-Bromobenzotrifluoride
• m-Bromotrifluorotoluene

3-Bromobenzotrifluoride

CAS: 401-78-5

Formula: C₇H₄BrF₃

Purity: >99.0%(GC)

Color and Shape: Colorless to Red to Green clear liquid

Molecular weight: 225.01

Ref: 3B-B0664

3-Bromobenzotrifluoride, 98+%

CAS: 401-78-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄BrF₃

Purity: 98+%

Color and Shape: Clear colorless, Liquid

Molecular weight: 225.01

Ref: 02-A14724

3-Bromobenzotrifluoride

CAS: 401-78-5

Formula: C₇H₄BrF₃

Purity: 98%

Color and Shape: Liquid

Molecular weight: 225.0059

Ref: IN-DA0039BE

3-Bromobenzotrifluoride, min. 98%

CAS: 401-78-5

Formula: C₇H₄BrF₃

Purity: min. 98%

Color and Shape: Colorless to pale-yellow, clear liquid

Molecular weight: 225.01

Ref: 08-09-0026

3-Bromobenzotrifluoride

CAS: 401-78-5

Formula: C₇H₄BrF₃

Molecular weight: 225.01

Ref: 7W-GK9588

3-Bromobenzotrifluoride

CAS: 401-78-5

3-Bromobenzotrifluoride

Formula: C₇H₄BrF₃

Purity: 98%

Color and Shape: clear. almost colourless liquid

Molecular weight: 225.01g/mol

Ref: 54-PC1340

3-Bromobenzotrifluoride

CAS: 401-78-5

Formula: C₇H₄BrF₃

Purity: 99.0%

Color and Shape: Clear

Molecular weight: 225.008

Ref: 10-F001415

3-Bromobenzotrifluoride

CAS: 401-78-5

3-Bromobenzotrifluoride is a chemical reagent that is used to synthesize aryl halides. It can be used in the cross-coupling reaction of an aryl bromide with an organopalladium complex to form an aryl triflate. 3-Bromobenzotrifluoride has been shown to be stable when heated, making it a good choice for synthesis reactions. The use of 3-bromobenzotrifluoride and other halides in chemical reactions was first demonstrated by Alder Wright in 1843. 3-Bromobenzotrifluoride can be used to synthesize isoxazolidines from diazonium salts and isoxazolidines from dehydrating agents such as phosphorus pentoxide. Isolation yields are also high, with chloride being the most common impurity found in the product.

Formula: C₇H₄BrF₃

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 225.01 g/mol

Ref: 3D-FB64582

1-Bromo-3-(trifluoromethyl)benzene

Controlled Product

CAS: 401-78-5

Applications 1-Bromo-3-(trifluoromethyl)benzene is used in the synthesis of calcium channel inhibitors for inflammatory and neuropathic pain.
References Beebe, X. et al.: Bioorg. Med. Chem. Lett., 23, 4857 (2013);

Formula: C₇H₄BrF₃

Color and Shape: Neat

Molecular weight: 225.01

Ref: TR-B688390