CAS 156001-51-3

5-Bromo-2-methylbenzonitrile

Description:

5-Bromo-2-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a bromine atom and a cyano group (-CN) attached to a methyl-substituted benzene ring. The presence of the bromine atom introduces both electrophilic and nucleophilic reactivity, making it useful in various chemical reactions, including substitution and coupling reactions. The cyano group contributes to the compound's polarity and can participate in nucleophilic addition reactions. This compound is typically a solid at room temperature and is soluble in organic solvents such as acetone and dichloromethane, but has limited solubility in water due to its hydrophobic aromatic structure. Its applications span across pharmaceuticals, agrochemicals, and materials science, where it can serve as an intermediate in the synthesis of more complex molecules. Safety data indicates that, like many brominated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and disposal methods are essential to mitigate any risks associated with its use.

Formula: C₈H₆BrN

InChI: InChI=1S/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3

InChI key: InChIKey=WNVUTFDOGUGEIS-UHFFFAOYSA-N

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

Synonyms:

• 3-Bromo-6-Methylbenzonitrile
• Benzonitrile, 5-bromo-2-methyl-
• 5-Bromo-2-methylbenzonitrile

5-Bromo-2-methylbenzonitrile

CAS: 156001-51-3

Formula: C₈H₆BrN

Purity: >98.0%(GC)

Color and Shape: White to Orange to Green powder to crystal

Molecular weight: 196.05

Ref: 3B-B4808

Benzonitrile, 5-bromo-2-methyl-

CAS: 156001-51-3

Formula: C₈H₆BrN

Purity: 97%

Color and Shape: Solid

Molecular weight: 196.0439

Ref: IN-DA001OGL

5-Bromo-2-methylbenzonitrile

CAS: 156001-51-3

5-Bromo-2-methylbenzonitrile

Purity: 98%

Molecular weight: 196.04g/mol

Ref: 54-OR345268

5-Bromo-2-methylbenzonitrile

CAS: 156001-51-3

5-Bromo-2-methylbenzonitrile is a substrate for the enzyme benzoate kinase and is used as an intermediate in the synthesis of cyclen. It can be activated by addition of acid, which leads to a rapid increase in the rate of reaction. The kinetic data for this reaction have been analyzed and show that it obeys first order kinetics with respect to both 5-bromo-2-methylbenzonitrile and benzoic acid. This reaction is also catalyzed by an analog of cyclen, which binds to the enzyme more tightly than 5-bromo-2-methylbenzonitrile, resulting in a higher activation energy. It is possible to analyze the kinetics of this reaction using agarose gel electrophoresis or supercoiled DNA analysis.

Formula: C₈H₆BrN

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 196.04 g/mol

Ref: 3D-FB41977

5-Bromo-2-methylbenzonitrile

CAS: 156001-51-3

Formula: C₈H₆BrN

Purity: 95%

Color and Shape: Solid

Molecular weight: 196.047

Ref: 10-F062784