Skip to Content
Merck
CN

417602

2-Chloroethyl phenyl sulfide

98%

Synonym(s):

2-(Phenylthio)ethyl chloride

Sign In to View Organizational & Contract Pricing.

Select a Size

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

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

2-Chloroethyl phenyl sulfide, 98%

InChI key

QDXIHHOPZFCEAP-UHFFFAOYSA-N

InChI

1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

SMILES string

ClCCSc1ccccc1

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

Quality Level

200

Looking for similar products? Visit Product Comparison Guide

Related Categories

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.

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000347367
0000347366
0000347367
0000347366
0000193394

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Quaternary ammonium O, O'-dialkylphosphorodithioate surfactants and their reactions with 2-chloroethyl phenyl sulfide, a mustard simulant.
Jaeger DA, et al.
Colloids and Surfaces. A, Physicochemical and Engineering Aspects, 196(2), 209-216 (2002)
Fabiana Arduini et al.
Sensors (Basel, Switzerland), 15(2), 4353-4367 (2015-02-18)
In this work a novel bioassay for mustard agent detection was proposed. The bioassay is based on the capability of these compounds to inhibit the enzyme choline oxidase. The enzymatic activity, which is correlated to the mustard agents, was electrochemically
Reaction of a vesicular functionalized surfactant with 2-chloroethyl phenyl sulfide, a mustard simulant.
Jaeger DA, et al.
Langmuir, 15(21), 7180-7185 (1999)
Raymond T Gephart et al.
ACS applied materials & interfaces, 5(20), 10191-10200 (2013-09-26)
Using reactive singlet oxygen (1O2), the oxidation of chemical-warfare agent (CWA) simulants has been demonstrated. The zinc octaphenoxyphthalocyanine (ZnOPPc) complex was demonstrated to be an efficient photosensitizer for converting molecular oxygen (O2) to 1O2 using broad-spectrum light (450-800 nm) from
Sulfide oxidation with H2O2 catalyzed by manganese complex of N,N',N?-tris(2-hydroxypropyl)-1, 4, 7-triazacyclononane.
Feng X-M, et al.
Inorgorganica Chimica Acta, 360(15), 4103-4110 (2007)
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service