5535-49-9 Usage
Description
2-Chloroethyl phenyl sulfide, also known as a sulfur mustard agent stimulant, is a chemical compound that has been reported as a simulant for sulfur mustard, a chemical warfare agent. It is characterized by its clear, colorless liquid appearance and is used in various applications due to its chemical properties and reactivity.
Uses
Used in Chemical Warfare Agent Detection:
2-Chloroethyl phenyl sulfide is used as a target analyte in bioassays for the detection of mustard agent. Its role as a stimulant for sulfur mustard agents makes it a valuable compound in the development of detection methods and countermeasures against chemical warfare agents.
Used in Chemical Research and Development:
As a simulant for chemical warfare agents, 2-chloroethyl phenyl sulfide is utilized in the research and development of new chemical compounds and materials. Its reactivity with various substances, such as vesicular functionalized double-chain surfactant and hydrogen peroxide, allows for the exploration of new chemical reactions and the synthesis of novel products.
Used in the Production of Chemical Compounds:
2-Chloroethyl phenyl sulfide is used as a starting material or intermediate in the production of various chemical compounds. Its unique chemical properties make it a useful building block for the synthesis of new molecules with potential applications in different industries.
Used in the Chemical Industry:
In the chemical industry, 2-chloroethyl phenyl sulfide is used as a reagent or catalyst in various chemical processes. Its ability to react with different substances and form new compounds makes it a valuable asset in the development of new products and technologies.
Used in Environmental and Safety Studies:
2-Chloroethyl phenyl sulfide is employed in environmental and safety studies to understand the potential risks and impacts of chemical warfare agents on the environment and human health. By using this compound as a simulant, researchers can gain insights into the behavior, degradation, and detoxification of sulfur mustard and other related chemicals.
Synthesis Reference(s)
The Journal of Organic Chemistry, 58, p. 4506, 1993 DOI: 10.1021/jo00068a063Synthesis, p. 577, 1978
Check Digit Verification of cas no
The CAS Registry Mumber 5535-49-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,3 and 5 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 5535-49:
(6*5)+(5*5)+(4*3)+(3*5)+(2*4)+(1*9)=99
99 % 10 = 9
So 5535-49-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
5535-49-9Relevant articles and documents
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Kopylova,B.V. et al.
, (1974)
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Electrophilic alkylation of pseudotetrahedral nickel(II) arylthiolate complexes
Deb, Tapash,Jensen, Michael P.
supporting information, p. 87 - 96 (2015/03/03)
A kinetic study is reported for reactions of pseudotetrahedral nickel(II) arylthiolate complexes [(TpR,Me)Ni-SAr] (TpR,Me = hydrotris{3-R-5-methyl-1-pyrazolyl}borate, R = Me, Ph, and Ar = C6H5, C6H4-4-Cl, C6H4-4-Me, C6H4-4-OMe, 2,4,6-Me3C6H2, 2,4,6-iPr3C6H2) with organic electrophiles R'X (i.e., MeI, EtI, BzBr) in low-polarity organic solvents (toluene, THF, chloroform, dichloromethane, or 1,2-dichloroethane), yielding a pseudotetrahedral halide complex [(TpR,Me)Ni-X] (X = Cl, Br, I) and the corresponding organosulfide R'SAr. Competitive reactions with halogenated solvents and adventitious air were also examined. Akin to reactions of analogous and biomimetic zinc complexes, a pertinent mechanistic question is the nature of the reactive nucleophile, either an intact thiolate complex or a free arylthiolate resulting from a dissociative pre-equilibrium. The observed kinetics conformed to a second-order rate law, first order with respect to the complex and electrophile, and no intermediate complexes were observed. In the absence of a mechanistically diagnostic rate law, a variety of mechanistic probes were examined, including kinetic effects of varying the metal, solvent, electrophile, and temperature, as well as the 3-pyrazolyl and arylthiolate substituents. Compared to zinc analogues, the effect of Ni-SAr covalency is also of interest herein. The results are broadly interpreted with respect to the disparate mechanistic pathways.
Oxo-rhenium(V) complexes containing heterocyclic ligands as catalysts for the reduction of sulfoxides
Sousa, Sara C. A.,Bernardo, Joana R.,Wolff, Mariusz,Machura, Barbara,Fernandes, Ana C.
, p. 1855 - 1859 (2014/04/03)
This work reports the catalytic activity of a large variety of oxo-rhenium(V) complexes (1 mol-%) containing the ligands 2-(2-hydroxy-5- methylphenyl)benzotriazole (Hhmpbta), 2-(2-hydroxyphenyl)benzothiazole (Hhpbt), 2-(2-hydroxyphenyl)benzoxazole (Hhpbo), and 2-(2-hydroxyphenyl)-1H-benzimidazole (Hhpbi) in the deoxygenation of sulfoxides with silanes or boranes as the reducing agents. In general, all of the complexes are excellent catalysts, although the PhSiH3/[ReOBr2(hmpbta)(PPh3)] and pinacolborane/[ReOBr2(hmpbta)(PPh3)] systems are the most efficient for the reduction of aromatic and aliphatic sulfoxides and tolerate different functional groups. Copyright
