417602
2-Chloroethyl phenyl sulfide
98%
Synonym(s):
2-(Phenylthio)ethyl chloride
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About This Item
Linear Formula:
ClCH2CH2SC6H5
CAS Number:
Molecular Weight:
172.68
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
226-891-8
Beilstein/REAXYS Number:
1907116
MDL number:
Assay:
98%
Form:
liquid
Quality Level
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
hcodes
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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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 417602-25ML | 04061837247613 |
| 417602-5ML | 04061837247620 |