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4165-60-0

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4165-60-0 Usage

Description

NITROBENZENE-D5, also known as Labelled Nitrobenzene, is a chemical compound that is a deuterated form of nitrobenzene. It is characterized by the replacement of five hydrogen atoms with deuterium atoms, which makes it a useful tool in various chemical and scientific applications. Its unique properties, such as its deuterium content, allow for enhanced analytical capabilities and specific reactions in chemical synthesis.

Uses

Used in Chemical Synthesis:
NITROBENZENE-D5 is used as a chemical precursor for the production of aniline, which is an important intermediate in the synthesis of various organic compounds and polymers. The use of deuterated nitrobenzene in this process can provide valuable insights into reaction mechanisms and improve the understanding of the synthesis pathway.
Used in Analytical Chemistry:
In the field of analytical chemistry, NITROBENZENE-D5 is utilized as a reference material or an internal standard for the calibration of instruments and methods. Its distinct isotopic signature allows for accurate quantification and identification of compounds in complex mixtures, particularly in techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy.
Used in Research and Development:
NITROBENZENE-D5 is employed in research and development for studying the properties of deuterated compounds and their interactions with other molecules. This can lead to the discovery of new chemical reactions, improved synthetic routes, and a better understanding of the fundamental principles governing chemical behavior.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, NITROBENZENE-D5 can be used as a building block for the synthesis of deuterated drug molecules. These deuterated drugs may exhibit improved pharmacokinetic properties, such as enhanced stability, increased bioavailability, and reduced toxicity, leading to more effective therapeutic agents.
Used in Environmental Studies:
NITROBENZENE-D5 can also be applied in environmental studies to trace the fate and transport of pollutants in the environment. Its unique isotopic signature can help in the identification and quantification of contaminants, providing valuable information for environmental monitoring and remediation efforts.

Check Digit Verification of cas no

The CAS Registry Mumber 4165-60-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,1,6 and 5 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 4165-60:
(6*4)+(5*1)+(4*6)+(3*5)+(2*6)+(1*0)=80
80 % 10 = 0
So 4165-60-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

4165-60-0 Well-known Company Product Price

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  • (Code)Product description
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  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (42337)  Nitrobenzene-d5, 99% (Isotopic)   

  • 4165-60-0

  • 5g

  • 713.0CNY

  • Detail
  • Alfa Aesar

  • (42337)  Nitrobenzene-d5, 99% (Isotopic)   

  • 4165-60-0

  • 25g

  • 1896.0CNY

  • Detail

4165-60-0Relevant articles and documents

Gold(I)-Catalyzed Oxidative 1,4-Additions of 3-En-1-ynamide with Nitrones via Carbon- versus Nitrogen-Addition Chemoselectivity

Tanpure, Sudhakar Dattatray,Kale, Balaji S.,Liu, Rai-Shung

supporting information, p. 1394 - 1399 (2021/02/20)

This work reports gold-catalyzed 1,4-oxofunctionalizations of 3-en-1-ynamides with nitrones, yielding two distinct E-configured products. We obtained 1,4-oxoarylation products from 3-en-1-ynamides bearing C(4)-electron-donating substituents and 1,4-oxoamination products from those analogues bearing C(4)-aryl substituents. We propose that if vinylgold carbenes are stable, imines undergo a para-arylation on these gold carbenes. If vinylgold carbenes are highly electron-deficient, this N-attack is irreversible to enable 1,4-oxoaminations.

Benzocarbazole Synthesis via Visible-Light-Accelerated Rh(III)-Catalyzed C-H Annulation of Aromatic Amines with Bicyclic Alkenes

Wang, Yichun,Jia, Deyang,Zeng, Jing,Liu, Yuming,Bu, Xiubin,Yang, Xiaobo

supporting information, p. 7740 - 7745 (2021/10/20)

A visible-light-accelerated Rh(III)-catalyzed C-H annulation of aromatic amines with bicyclic alkenes for the synthesis of benzocarbazole derivatives was developed. In this approach, with the cooperation of rhodium catalysis and visible-light irradiation, various aromatic amines reacted with oxabicyclic alkenes and azabicyclic alkenes smoothly at room temperature, delivering the corresponding bridged oxa or aza tetrahydro benzocarbazoles in good to excellent yields. Moreover, a series of benzo[b]carbazoles were synthesized conveniently through further aromatization in one pot. The potential of this method was demonstrated via directing-group removal, derivatization, a scale-up reaction, and fluorescence investigations.

A New Class of Lanthanide Complexes with Three Ligand Centered Radicals: NMR Evaluation of Ligand Field Energy Splitting and Magnetic Coupling

Hiller, Markus,Sittel, Thomas,Wadepohl, Hubert,Enders, Markus

supporting information, p. 10668 - 10677 (2019/07/12)

Combination of three radical anionic Ph-BIAN ligands (Ph-BIAN=bis-(phenylimino)-acenaphthenequinone) with lanthanoid ions leads to a series of homoleptic, six-coordinate complexes of the type Ln(Ph-BIAN)3. Magnetic coupling data were measured by paramagnetic solution NMR spectroscopy. Combining 1H NMR with 2H NMR of partially deuterated compounds allowed a detailed study of the magnetic susceptibility anisotropies over a large temperature range. The observed chemical shifts were separated into ligand- and metal-centered contributions by comparison with the Y analogue (diamagnetic at the metal). The metal-centered contributions of the complexes with the paramagnetic ions could then be separated into pseudocontact and Fermi contact shifts. The latter is large within the Ph-BIAN scaffold, which shows that magnetic coupling is significant between the lanthanide ion and the radical ligand. Pseudocontact shifts were further correlated to structural data obtained from X-ray diffraction experiments. Ligand-field parameters were determined by fitting the temperature dependence of the observed magnetic susceptibility anisotropies. The electronic structure determined by this approach shows, that the Er and Tm analogues are candidates for single molecule magnets (SMM). These results demonstrate the possibilities for the application of NMR spectroscopy in investigations of paramagnetic systems in general and single molecule magnets in particular.

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