Name: Benzene-[1,4-d2]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-010694

CAS: 1684-46-4

Molecular Formula: C6H4D2

Molecular Weight: 80.12

Chemical Structure

Synonyms	Benzene-1,4-D2; p-dideuterobenzene; Benzene-d2; Cyclohexatriene-1,4-d2; benzole-1,4-d2; Pyrobenzole-1,4-d2; Benzine-1,4-d2; 1,3,5-Cyclohexatriene-1,4-d2; Benzol-1,4-d2; NSC 67315-1,4-d2; Phene-1,4-d2; Pyrobenzol-1,4-d2
IUPAC Name	1,4-dideuteriobenzene
Related CAS	71-43-2 (unlabelled)
Canonical SMILES	C1=CC=CC=C1
InChI	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,6D
InChI Key	UHOVQNZJYSORNB-UPXKZQJYSA-N
Boiling Point	78.834°C at 760 mmHg
Purity	99% by HPLC; ≥98% atom D
Density	0.896 g/cm3
Solubility	Soluble in Chloroform, Hexane
Appearance	Liquid
Storage	Store at 2-8°C

Benzene-[1,4-d2], a deuterated variant of benzene with two hydrogen atoms replaced by deuterium, offers a range of applications. Here are key uses of Benzene-[1,4-d2] presented with high perplexity and burstiness:

NMR Spectroscopy: Widely utilized in nuclear magnetic resonance (NMR) spectroscopy, Benzene-[1,4-d2] acts as both a solvent and reference standard. The incorporation of deuterium enhances NMR signals, reducing background noise and enhancing spectral clarity. This characteristic makes it indispensable for analyzing intricate organic molecules and unraveling their structural complexities.

Isotopic Labeling Studies: In the realm of chemical and biochemical research, Benzene-[1,4-d2] plays a pivotal role as an isotopic label, enabling the tracking of molecular interactions and transformations. By integrating this deuterated compound into molecules, researchers can differentiate between various isotopic forms using spectroscopic methods. This capability is critical for dissecting reaction mechanisms and metabolic pathways with precision.

Vibrational Spectroscopy: Embraced in vibrational spectroscopy techniques like infrared (IR) and Raman spectroscopy, Benzene-[1,4-d2] serves as a key tool in the examination of molecular vibrations and structures. The presence of deuterium alters vibrational frequencies, offering in-depth insights into molecular bonding and configurations. This application holds significance in material characterization and elucidating molecular dynamics, contributing to a deeper understanding of materials.

Material Science: In the domain of material science, Benzene-[1,4-d2] finds its utility in probing polymer interactions and complex material systems. Its distinctive properties enable it to serve as a probe for exploring molecular dynamics within solids and liquids, aiding in the study of molecular environments. This knowledge drives the advancement of tailored materials with specific properties for diverse industrial applications, showcasing the versatility of Benzene-[1,4-d2] in material science research.