1684-47-5

Usage

Uses

Used in Environmental and Biological Research:
BENZENE (1,3,5-D3) is used as a tracer for tracking the movement and behavior of benzene in various systems, such as environmental and biological processes. This helps researchers understand the distribution, transformation, and fate of benzene in the environment and living organisms.
Used in Analytical Chemistry:
BENZENE (1,3,5-D3) is used as a reference compound in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy for the identification and quantification of benzene and related compounds in samples. Its unique properties allow for accurate and precise measurements, enhancing the analytical capabilities in various scientific fields.
Used in Chemical Reactions and Studies:
Due to its stable nature, BENZENE (1,3,5-D3) is utilized as a tracer in chemical reactions to monitor reaction pathways, intermediates, and products. This aids in understanding the mechanisms and kinetics of reactions involving benzene and its derivatives, contributing to the advancement of chemical research and development.

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

Upstream product

• 142-04-1 aniline hydrochloride 
• 1076-43-3 benzene-d6 
• 554-95-0 benzene-1,3,5-tricarboxylic acid 

Downstream Products

• 576-85-2 1,3,5-trideutero-2-fluorobenzene 
• 241147-99-9 C₆H₃D₂BO₂C₆H₄ 
• 241147-98-8 C₆H₂D₃BO₂C₆H₄ 
• 10035-10-6 hydrogen bromide 
• 1190369-92-6 C₂₁H₂₃⁽²⁾H₂NO 
• 1190369-91-5 C₂₁H₂₂⁽²⁾H₃NO 
• 2237-15-2 2-deuterio-[1,4]benzoquinone 
• 2237-17-4 <2,6-2H2>-p-benzoquinone 
• 1453101-38-6 C₁₈H₁₂⁽²⁾H₃NO₄S₂ 
• 1453101-39-7 C₁₈H₁₃⁽²⁾H₂NO₄S₂ 

Relevant academic research and scientific papers

Secondary Deuterium Isotope Effect in an Electrophilic Aromatic Substitution- Protodesilylation of Trimethylphenylsilane

Reaction rates for the protodesilylation of trimethylphenylsilane and of -trimethylphenylsilane by HClO4, were measured in aqueous methanol (2:5, v/v) and the secondary deuterium isotope effect for the reaction was found to be kH/kD3=0.79.The magnitude of the observed isotope effect supports a mechanism in which the rate-determining step is the proton transfer from the hydronium ion to the silane to form a ?-intermediate.

Isotope Effects in Arene C-H Bond Activation by

The isotope effects involved in the activation of arene C-H bonds by the intermediate have been investigated.The ratio kH/kD for coordination to a double bond in benzene (the rate-determining step of arene activation) is found to be 1.05(6), whereas kH/kD=1.4 for the second step in which the C-H bond of the coordinated arene undergoes oxidative addition.The isotope effect KH/D for the equilibrium between the more stable phenyl hydride complex (C5Me5)Rh(PMe3)(C6D5)H and the complex containing hydrogen in the ortho position of the phenyl ring (C5Me5)Rh(PMe3)(o-C6D4H)D shows a preference for hydrogen (vs. deuterium) on the metal of 2.7.The kinetic isotope effect for reductive elimination and dissociation of m-xylene from (C5Me5)Rh(PMe3)(3,5-C6H3Me2)H vs. (C5Me5)Rh(PMe3)(3,5-C6H3Me2)D is found to be inverse, with kH/kD=o.51.Analysis of the data for the deuterated benzene derivatives confirms that the kinetic isotope for the reductive elimination step is inverse.Attemps to prepare the complex (C5Me5)Rh(PMe3)(CH3)D by reduction of + with - resulted in the formation of both (C5Me5)Rh(PMe3)(CH3)D and (C5Me5)Rh(PMe3)(CH2D)H.