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

Synonyms:

• (~2~H)benzene
• Benzene-d
• Benzene-d₁
• Deuteriobenzene
• Deuterobenzene
• Monodeuteriobenzene
• Monodeuterobenzene
• Benzene-d1

Benzene-d1

CAS: 1120-89-4

• Formula: C₆H₅D
• Purity: 97 atom % D
• Color and Shape: Colorless Liquid
• Molecular weight: 79.05323