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417602

Sigma-Aldrich

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
Beilstein:
1907116
EC Number:
226-891-8
MDL number:
MFCD00013691
UNSPSC Code:
12352100
PubChem Substance ID:
24866164
NACRES:
NA.22

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

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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.

Signal Word

Danger

Hazard Statements

H311 + H331,H314,H350

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

417602-BULK:
417602-5ML:
417602-25ML:
417602-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
0000347367
0000347366
0000347367
0000347366
0000193394

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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
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
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)
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)
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