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Sigma-Aldrich

2-Chloroethyl phenyl sulfide

98%

Sinônimo(s):

2-(Phenylthio)ethyl chloride

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About This Item

Fórmula linear:
ClCH2CH2SC6H5
Número CAS:
5535-49-9
Peso molecular:
172.68
Beilstein:
1907116
Número CE:
226-891-8
Número MDL:
MFCD00013691
Código UNSPSC:
12352100
ID de substância PubChem:
24866164
NACRES:
NA.22

Ensaio

98%

forma

liquid

índice de refração

n20/D 1.583 (lit.)

pb

90-91 °C/1 mmHg (lit.)

densidade

1.174 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

ClCCSc1ccccc1

InChI

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

chave InChI

QDXIHHOPZFCEAP-UHFFFAOYSA-N

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Descrição geral

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.

Aplicação

2-Chloroethyl phenyl sulfide, a sulfur mustard agent stimulant, may be used as target analyte in a bioassay for the detection of mustard agent.

Palavra indicadora

Danger

Frases de perigo

H311 + H331,H314,H350

Classificações de perigo

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

Código de classe de armazenamento

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

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

219.2 °F - closed cup

Ponto de fulgor (°C)

104 °C - closed cup

Equipamento de proteção individual

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

Certificados de análise (COA)

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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
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
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)
Reaction of a vesicular functionalized surfactant with 2-chloroethyl phenyl sulfide, a mustard simulant.
Jaeger DA, et al.
Langmuir, 15(21), 7180-7185 (1999)
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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