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417602 Sigma-Aldrich

2-Chloroethyl phenyl sulfide

98%

Synonym: 2-(Phenylthio)ethyl chloride

  • CAS Number 5535-49-9

  • Linear Formula ClCH2CH2SC6H5

  • Molecular Weight 172.68

  •  Beilstein/REAXYS Number 1907116

  •  EC Number 226-891-8

  •  MDL number MFCD00013691

  •  PubChem Substance ID 24866164

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds More...
assay   98%
refractive index   n20/D 1.583 (lit.)
bp   90-91 °C/1 mmHg (lit.)
density   1.174 g/mL at 25 °C (lit.)
SMILES string   ClCCSc1ccccc1
InChI   1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI key   QDXIHHOPZFCEAP-UHFFFAOYSA-N

Description

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.

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.

Packaging

5, 25 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 2810 6.1 / PGII
WGK Germany 
WGK 3
Flash Point(F) 
219.2 °F - closed cup
Flash Point(C) 
104 °C - closed cup

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Peer-Reviewed Papers
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References

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