52089-63-1 Usage
Description
1,4-Dibromobutane-2,2,3,3-d4, with the CAS number 52089-63-1, is an isotopically labeled research compound that is utilized in various scientific studies and experiments. It is a derivative of 1,4-dibromobutane, which has been labeled with deuterium atoms, making it a valuable tool for researchers to investigate the properties and behavior of the molecule in different conditions.
Uses
Used in Research and Development:
1,4-Dibromobutane-2,2,3,3-d4 is used as a research compound for studying the effects of isotopic labeling on the chemical and physical properties of the molecule. The presence of deuterium atoms in the compound allows researchers to gain insights into the behavior of the molecule in various chemical reactions and processes.
Used in Chemical Analysis:
In the field of chemical analysis, 1,4-dibromobutane-2,2,3,3-d4 is used as a reference material for the calibration of analytical instruments and techniques. The isotopically labeled compound can help improve the accuracy and precision of measurements, particularly in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy.
Used in Pharmaceutical Industry:
1,4-Dibromobutane-2,2,3,3-d4 is used as a starting material or intermediate in the synthesis of various pharmaceutical compounds. The isotopically labeled compound can be used to track the progress of a reaction or to study the metabolic pathways of the synthesized compounds in biological systems.
Used in Environmental Studies:
In environmental science, 1,4-dibromobutane-2,2,3,3-d4 can be employed as a tracer compound to study the fate and transport of pollutants in the environment. The isotopically labeled compound can help researchers understand the behavior of similar pollutants and develop strategies for their detection, monitoring, and remediation.
Used in Material Science:
1,4-Dibromobutane-2,2,3,3-d4 can be used in material science research to study the properties of polymers and other materials. The isotopically labeled compound can be incorporated into the material structure to investigate its effects on the material's mechanical, thermal, and chemical properties.
Check Digit Verification of cas no
The CAS Registry Mumber 52089-63-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,0,8 and 9 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 52089-63:
(7*5)+(6*2)+(5*0)+(4*8)+(3*9)+(2*6)+(1*3)=121
121 % 10 = 1
So 52089-63-1 is a valid CAS Registry Number.
52089-63-1Relevant articles and documents
Structure of the radical cations of N,N'-polymethylene-synl, 1, 6:8, 13-diimino[14]annulenes: An ESR and ENDOR study
Gerson, Fabian,Gescheidt, Georg,Kn?bel, Jürgen,Martin Jr., William B.,Neumann, Ludger,Vogel, Emanuel
, p. 7107 - 7115 (2007/10/02)
N,N'-Polymethylene-syn-1,6:8,13-diimino[14]annulenes, 1-7, in which the number, m, of CH2 groups varies from 1 to 7, and N,N'-dimethyl-syn-1,6:8,13-diimino[14]annulene (8) were synthesized. The radical cations of 1-8, as well as those of several derivatives of 1-4, have been studied by ESR, ENDOR, and TRIPLE resonance spectroscopy. In contrast to the corresponding anions 1*--8*-, which are bridged π-perimeter radicals, the cations 1*+-8*+ must be considered as N-centered radicals with the bulk of the spin population residing at the two heteroatoms. The structure and properties of these radical cations critically depend on the length of the polymethytene chain linking the N atoms. When the number, m, of the CH2 groups in this chain is 1 or 2, the N lone pairs are directed "outward", so that their interaction is relatively weak. Thus, the radical cations 1*+ (m = 1) and 2*+ (m = 2) are thermodynamically and kinetically rather unstable, and their 14N coupling constant, aN, is only 0.6-0.7 mT. on the other hand, with m = 3-7 the N lone pairs point "inward", an arrangement that favors the formation of an N-N three-electron σ-bond. The pertinent radical cations 3*+-7*+ (m = 3-7) exhibit unusual thermodynamic and kinetic stabilities which, in two (3*+ and 4*+), allowed X-ray crystallographic structure analyses to be carried out. The coupling constant aN amounts to 1.70 to for 3*+, it increases further to an almost constant value of 2.57-2.72 mT for 4*+-7*+; an aN value of 2.66 mT is also observed for 8*+, which may be regarded as having its N atoms linked by a very long polymethylene chain. The changes in the coupling constant aN along the 1*+-7*+ (8*+) series can be rationalized in terms of the varying "s-character" of the singly occupied orbital centered at the spin-bearing N atoms.
