918-20-7 Usage
Description
2-CHLORO-2-METHYLPROPANE-D9, also known as isotope labeled 2-chloro-2-methylpropane, is a chemical compound that contains deuterium atoms (D9) as isotopes. It is a chlorinated hydrocarbon with a molecular structure that features a chlorine atom attached to a tertiary carbon atom in a methylpropane molecule. The presence of deuterium atoms in the compound makes it useful for various applications, particularly in the field of chemistry and research.
Uses
Used in Chemical Synthesis:
2-CHLORO-2-METHYLPROPANE-D9 is used as a starting molecule for carrying out nucleophilic substitution reactions. The presence of deuterium atoms in the compound allows for the tracking and analysis of reaction mechanisms, providing valuable insights into the behavior of the molecule during chemical transformations.
Used in Research and Development:
In the field of research and development, 2-CHLORO-2-METHYLPROPANE-D9 is used as a labeled compound to study the kinetics and thermodynamics of chemical reactions. The use of isotopes in the compound enables researchers to monitor the progress of reactions and gain a deeper understanding of the underlying processes.
Used in Analytical Chemistry:
2-CHLORO-2-METHYLPROPANE-D9 is employed as a reference material in analytical chemistry for the calibration of instruments and the development of new analytical methods. The presence of deuterium atoms in the compound allows for accurate measurements and comparisons with other compounds, ensuring the reliability and accuracy of analytical results.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-CHLORO-2-METHYLPROPANE-D9 is used as an intermediate in the synthesis of various drugs and drug candidates. The use of isotopically labeled compounds can help in the development of new drugs with improved pharmacokinetic properties and reduced side effects.
Used in Environmental Studies:
2-CHLORO-2-METHYLPROPANE-D9 is utilized in environmental studies to understand the fate and transport of pollutants in the environment. The use of isotopically labeled compounds allows for the tracking of contaminants and the evaluation of their impact on ecosystems and human health.
Check Digit Verification of cas no
The CAS Registry Mumber 918-20-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,1 and 8 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 918-20:
(5*9)+(4*1)+(3*8)+(2*2)+(1*0)=77
77 % 10 = 7
So 918-20-7 is a valid CAS Registry Number.
InChI:InChI=1/C4H9Cl/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
918-20-7Relevant articles and documents
Stephens,Leitch
, p. 65 (1967)
Kinetic Isotope Effects for Hydrogen Abstraction from a Series of Cycloalkanes and Branched Alkanes by Hydrogen Atoms in the Gaseous Phase
Fujisaki, Noboru,Ruf, Amanz,Gaeumann, Tino
, p. 1605 - 1610 (2007/10/02)
Hydrogen atoms produced in the radiolysis of water vapor were used to determine the kinetic isotope effects for the reactions H(.) + RH(RD) -> H2(RD) + R(.) H(KD)>, where RH is a perprotiated alkane and RD is the corresponding perdeuterated alkane.The alkanes studied include a homologous series of cycloalkanes, cyclopentane through cyclododecane, and isobutane, 2,3-dimethylbutane, 2,3,4-trimethylpentane, and neopentane.The results were expressed in terms of the Arrhenius-type equation kH/kD = AH/AD expD-EH)(kJ mol-1)/RT>, over the temperature range of 363-463 K.The values for the ratio AH/AD range from 0.32 to 0.75, and the activation energy differences ED-EH vary from 6.8 to 11.0 kJ/mol, depending on the molecular structures of the reactants.The variation in the values of ED-EH was correlated with the bond dissociation energies of the C-H bond being broken.Theoretical calculations based on transition-state theory combined with the London-Eyring-Polanyi-Sato potetial energy surfaces could reproduce the major features of the experimental results when tunnel effects were taken into consideration.
