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2-Chloroethyl phenyl sulfide

ALDRICH/417602 - 98%

Synonym: 2-(Phenylthio)ethyl chloride

CAS Number: 5535-49-9
Empirical Formula (Hill Notation): C8H9ClS
Molecular Weight: 172.68
EC Number: 226-891-8
MDL Number: MFCD00013691
Linear Formula: ClCH2CH2SC6H5
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-417602-5ML 5 mL
 $95.50
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45-417602-25ML 25 mL
 $225.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 417602-5ML.

 

assay 98%
bp 90-91 °C/1 mmHg (lit.)
density 1.174 g/mL at 25 °C (lit.)
form liquid
functional group chloro
  thioether
InChI 1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI key QDXIHHOPZFCEAP-UHFFFAOYSA-N
Quality Level 200 
refractive index n20/D 1.583 (lit.)
SMILES string ClCCSc1ccccc1
Application: 2-Chloroethyl phenyl sulfide, a sulfur mustard agent stimulant, may be used as target analyte in a bioassay for the detection of mustard agent.
General description: 2-Chloroethyl phenyl sulfide has been reported as sulfur mustard simulant. It is a chemical-warfare agent (CWA) simulant and its oxidation using hydrothane films has been reported. It is also reported as a simulant for the chemical warfare agent mustard [bis(2-chloroethyl) sulfide]. Its reaction with vesicular functionalized double-chain surfactant (potassium O, O′-didodecylphosphorodithioate) at pH 9.0 borate buffer affords [S-[(2-phenylthio)ethyl]O,O′-didodecylphosphorodithioate]. Its oxidation with H2O2 catalyzed by [MnL](ClO4)2 (L = N,N′,N″-tris(2-hydroxypropyl)-1,4,7-triazacyclononane) afforded 2-chloroethyl phenyl sulfone and phenyl vinyl sulfone.
Packaging: 5, 25 mL in glass bottle
Purity 98%
bp 90-91 °C/1 mmHg (lit.)
Density 1.174 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.583 (lit.)
UNSPSC 12352100

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