CAS 1483-55-2

2-Bromo-5-(trifluoromethyl)benzonitrile

Description:

2-Bromo-5-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a bromine atom and a trifluoromethyl group attached to a benzene ring that also contains a nitrile functional group. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and polarity. The trifluoromethyl group is known for its electron-withdrawing properties, enhancing the compound's lipophilicity and potentially affecting its biological activity. The nitrile group contributes to the compound's overall polarity and can participate in various chemical reactions, such as nucleophilic additions. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the substance. Safety precautions should be taken when handling this compound, as it may pose health risks due to its halogenated nature.

Formula: C₈H₃BrF₃N

InChI: InChI=1S/C8H3BrF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H

InChI key: InChIKey=ICEINTPQBJRYDE-UHFFFAOYSA-N

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

Synonyms:

• 2-Cyano-4-trifluoromethylbromobenzene
• Benzonitrile, 2-bromo-5-(trifluoromethyl)-
• 2-Bromo-5-(trifluoromethyl)benzonitrile
• m-Tolunitrile, 6-bromo-α,α,α-trifluoro-

Benzonitrile, 2-bromo-5-(trifluoromethyl)-

CAS: 1483-55-2

Formula: C₈H₃BrF₃N

Purity: 98%

Color and Shape: Solid

Molecular weight: 250.0153

Ref: IN-DA001FLW

2-Bromo-5-(trifluoromethyl)benzonitrile

CAS: 1483-55-2

2-Bromo-5-(trifluoromethyl)benzonitrile

Formula: C₈H₃BrF₃N

Purity: 97%

Color and Shape: solid

Molecular weight: 250.02g/mol

Ref: 54-PC2479

2-Bromo-5-(trifluoromethyl)benzonitrile

CAS: 1483-55-2

The synthesis of 2-bromo-5-(trifluoromethyl)benzonitrile was achieved by an asymmetric synthesis using a modular approach. The key step in the synthesis of this compound is the protonation of the nitrile group, which is accomplished by protonating the carbon adjacent to the nitrile group. This protonation leads to a chiral intermediate that can be alkylated with either methyl bromide or ethyl bromide, giving two different products. The synthesis of these products was achieved through stereoselective alkylations, where one product is obtained as a result of a stereocontrolled reaction. This synthetic process provides an alternative to traditional methods for synthesizing 2-bromo-5-(trifluoromethyl)benzonitrile and has potential applications in the production of analgesic drugs.

Formula: C₈H₃BrF₃N

Purity: Min. 95%

Molecular weight: 250.02 g/mol

Ref: 3D-FB67416

2-Bromo-5-(trifluoromethyl)benzonitrile

CAS: 1483-55-2

Formula: C₈H₃BrF₃N

Purity: 98%

Color and Shape: Solid

Molecular weight: 250.018

Ref: 10-F043632