CAS 1120-89-4: Benzene-d

Description:Benzene-d, also known as deuterated benzene, is a stable isotopic variant of benzene where hydrogen atoms are replaced by deuterium, a heavier isotope of hydrogen. Its chemical formula is C6D6, and it retains the aromatic characteristics of benzene, including a planar structure and delocalized π-electrons. The presence of deuterium alters its physical properties slightly compared to regular benzene, such as a higher boiling point and density. Benzene-d is commonly used as a solvent in NMR spectroscopy due to its non-reactivity and ability to provide a clean spectral background, allowing for the observation of other compounds. It is also utilized in various research applications, including studies of reaction mechanisms and molecular dynamics. As with benzene, benzene-d is flammable and should be handled with care in a well-ventilated area, following appropriate safety protocols. Its CAS number, 1120-89-4, is used for identification in chemical databases and regulatory contexts.

Formula:C₆H₅D

InChI:InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D

InChI key:InChIKey=UHOVQNZJYSORNB-MICDWDOJSA-N

SMILES:C=1C=CC=CC1