1423-10-5 Usage
Description
FLUOROBENZENE-D5 is a deuterated derivative of fluorobenzene, characterized by an isotopic purity of 98 atom% D. It is an asymmetric top molecule with unique properties that have been evaluated through various scientific methods, including the angular position correlation time, angular momentum correlation time, NMR spin-lattice relaxation times (of deuterium and fluorine atoms), and resonance-enhanced multiphoton ionization spectrum. FLUOROBENZENE-D5 is a clear colorless liquid.
Uses
Used in Chemical Research:
FLUOROBENZENE-D5 is used as a research compound for studying the properties and behavior of deuterated aromatic molecules. Its deuterated nature allows for enhanced investigation of molecular interactions and dynamics, particularly in the field of nuclear magnetic resonance (NMR) spectroscopy.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, FLUOROBENZENE-D5 is used as a reference compound for the development of new drugs and the study of drug metabolism. Its unique properties can help researchers understand the effects of deuteration on drug stability, solubility, and bioavailability.
Used in Material Science:
FLUOROBENZENE-D5 is employed as a component in the development of advanced materials, such as deuterated polymers and composites. Its incorporation can lead to improved material properties, including enhanced thermal stability and chemical resistance.
Used in Environmental Studies:
FLUOROBENZENE-D5 is utilized as a tracer compound in environmental studies, helping researchers track the movement and fate of pollutants in the environment. Its deuterated nature provides a distinct signature that can be easily detected and monitored.
Used in Analytical Chemistry:
In analytical chemistry, FLUOROBENZENE-D5 is used as an internal standard for quantitative analysis, particularly in mass spectrometry and NMR spectroscopy. Its stable isotopic composition ensures accurate and reliable measurements in various analytical techniques.
Check Digit Verification of cas no
The CAS Registry Mumber 1423-10-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,4,2 and 3 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1423-10:
(6*1)+(5*4)+(4*2)+(3*3)+(2*1)+(1*0)=45
45 % 10 = 5
So 1423-10-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
1423-10-5Relevant articles and documents
Facile H/D exchange at (hetero)aromatic hydrocarbons catalyzed by a stable trans-dihydride n-heterocyclic carbene (NHC) iron complex
De Ruiter, Graham,Garhwal, Subhash,Kaushansky, Alexander,Fridman, Natalia,Shimon, Linda J.W.
supporting information, p. 17131 - 17139 (2020/11/09)
Earth-abundant metal pincer complexes have played an important role in homogeneous catalysis during the last ten years. Yet, despite intense research efforts, the synthesis of iron PCcarbeneP pincer complexes has so far remained elusive. Here we report the synthesis of the first PCNHCP functionalized iron complex [(PCNHCP)FeCl2] (1) and the reactivity of the corresponding trans-dihydride iron(II) dinitrogen complex [(PCNHCP)- Fe(H)2N2)] (2). Complex 2 is stable under an atmosphere of N2 and is highly active for hydrogen isotope exchange at (hetero)aromatic hydrocarbons under mild conditions (50 °C, N2). With benzene-d6 as the deuterium source, easily reducible functional groups such as esters and amides are well tolerated, contributing to the overall wide substrate scope (e.g., halides, ethers, and amines). DFT studies suggest a complex assisted σ-bond metathesis pathway for C(sp2)-H bond activation, which is further discussed in this study.
The thermal conversions of 6,6-difluorobicyclo[3.1.0]hex-2-enes to fluorobenzenes. An interesting dichotomy of mechanisms
Dolbier Jr.,Keaffaber,Burkholder,Koroniak,Pradhan
, p. 9649 - 9660 (2007/10/02)
A kinetic study of the thermal, dehydrofluorinative aromatization reactions of two ostensibly-similar 6,6-difluorobicyclo[3.1.0]hex-2-ene systems led to the conclusion that drastically different mechanisms operate for the two reactions. Activation parameters, solvent effects, kinetic isotope effects, isotope labelling experiments and observation of reactive intermediates all contributed to the conclusion that the reaction of 6,6-difluorobicyclo[3.1.0]hex-2-ene, 1, proceeds via a homolytic hydrogen-shift rearrangement, while the reaction of 2,3-benzo-6,6-difluorobicyclo[3.1.0]hex-2-ene, 6, proceeds via a solvolytic mechanism involving rate-determining carbocation formation.
