CAS 22328-44-5

Benzene, 1-bromo-4-(methyl-d3)-

Description:

Benzene, 1-bromo-4-(methyl-d3)-, also known as 1-bromo-4-methylbenzene-d3, is a deuterated derivative of para-bromotoluene. This compound features a benzene ring substituted with a bromine atom at the first position and a deuterated methyl group at the fourth position. The presence of deuterium (D) in the methyl group indicates that the hydrogen atoms in the methyl group have been replaced with deuterium isotopes, which can be useful in various applications, including NMR spectroscopy and tracing studies in chemical reactions. The compound is typically a colorless liquid with a characteristic aromatic odor. It is non-polar and relatively stable under standard conditions, although it can undergo electrophilic substitution reactions typical of aromatic compounds. Safety precautions should be taken when handling this substance, as brominated compounds can be hazardous. Its applications may include use in organic synthesis, research, and as a labeling agent in studies involving isotopic tracing.

Formula: C₇H₄BrD₃

InChI: InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3/i1D3

InChI key: InChIKey=ZBTMRBYMKUEVEU-FIBGUPNXSA-N

SMILES: BrC1=CC=C(C([2H])([2H])[2H])C=C1

Synonyms:

• Benzene, 1-bromo-4-(methyl-d3)-
• Toluene-α,α,α-d3, p-bromo-
• 1-Bromo-4-(trideuteriomethyl)benzene
• 1-Bromo-4-(2H3)methylbenzene

4-Bromotoluene-a,a,a-d3

CAS: 22328-44-5

Formula: BrC₆H₄CD₃

Purity: 99 atom % D

Molecular weight: 172.99194

Ref: 3U-D8011

4-Bromotoluene (Methyl D3)

CAS: 22328-44-5

Formula: C₇H₇Br

Purity: 97.0%

Color and Shape: Liquid, Clear

Molecular weight: 174.055

Ref: 10-F043261

4-Bromotoluene-d3

Controlled Product

CAS: 22328-44-5

Applications 4-Bromotoluene-d3 is isotopically labelled form of 4-Bromotoluene (B688235), which is used as a reagent in the preparation of aromatic diselenides that are useful for generating anticancer lead compounds.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Rizvi, M.A., et al.: Bioorg. Med. Chem. Lett., 24, 3440 (2014); Leung, C., et al.: Angew Chem., Int. Ed., 52, 766 (2013);

Formula: C₇H₄D₃Br

Color and Shape: Neat

Molecular weight: 174.05

Ref: TR-B688237

4-BROMOTOLUENE (METHYL D3)

CAS: 22328-44-5

Formula: C₇H₄BrD₃

Molecular weight: 174.0530

Ref: IN-DA01C9SW