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417602

2-Chloroethyl phenyl sulfide

98%

Synonym(s):

2-(Phenylthio)ethyl chloride

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About This Item

Linear Formula:
ClCH2CH2SC6H5
CAS Number:
5535-49-9
Molecular Weight:
172.68
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24866164
EC Number:
226-891-8
Beilstein/REAXYS Number:
1907116
MDL number:
MFCD00013691
Assay:
98%
Form:
liquid
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Quality Segment

200

assay

98%

form

liquid

refractive index

n20/D 1.583 (lit.)

bp

90-91 °C/1 mmHg (lit.)

density

1.174 g/mL at 25 °C (lit.)

functional group

chloro, thioether

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

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.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Carc. 1A - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

219.2 °F - closed cup

flash_point_c

104 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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