CAS 1219802-21-7

3-CYANOBENZYL-D6 BROMIDE

Description:

3-Cyanobenzyl-D6 bromide, with the CAS number 1219802-21-7, is a deuterated organic compound that features a cyanobenzyl group substituted with bromine. The presence of the deuterium atoms (D6) indicates that this compound has been isotopically labeled, which can be useful in various analytical applications, including NMR spectroscopy and tracing studies in chemical reactions. The bromide group serves as a good leaving group, making this compound potentially useful in nucleophilic substitution reactions. The cyanobenzyl moiety contributes to the compound's polarity and reactivity, allowing for interactions with various nucleophiles. Additionally, the presence of the cyano group (-CN) can enhance the compound's electron-withdrawing properties, influencing its reactivity and solubility in different solvents. Overall, 3-cyanobenzyl-D6 bromide is a valuable compound in synthetic organic chemistry, particularly in the development of labeled compounds for research and industrial applications.

Formula: C₈H₆BrN

InChI: InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2/i1D,2D,3D,4D,5D2

InChI key: InChIKey=CVKOOKPNCVYHNY-NVSFMWKBSA-N

SMILES: C(Br)(C1=C(C(C#N)=C(C(=C1[2H])[2H])[2H])[2H])([2H])[2H]

Synonyms:

• 3-CYANOBENZYL-D6 BROMIDE

3-Cyanobenzyl-d6 Bromide

CAS: 1219802-21-7

Formula: BrCD₂C₆D₄CN

Purity: 98 atom % D

Color and Shape: White-Pale Yellow Solid

Molecular weight: 201.00602

Ref: 3U-D5568

3-Cyanobenzyl-d6 Bromide

Controlled Product

CAS: 1219802-21-7

Formula: C₈D₆BrN

Color and Shape: Neat

Molecular weight: 202.08

Ref: TR-C962366