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Merck
CN

417602

2-氯乙基苯基硫醚

98%

别名:

2-(苯硫基)氯乙烷

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关于此项目

线性分子式:
ClCH2CH2SC6H5
化学文摘社编号:
分子量:
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
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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-氯乙基苯硫醚已被报道为硫芥模拟物。它是一种化学战剂(CWA)模拟剂,已经报道了使用氢乙烷膜进行氧化。还报道了它作为化学战剂芥菜[双(2-氯乙基)硫化物]的模拟剂。它在pH 9.0的硼酸盐缓冲液中与囊泡官能化双链表面活性剂(O, O′-二十二烷基磷酸二硫代酸钾)反应,得到[S-[((2-苯基硫代)乙基]O,O′-二十二烷基磷酸二硫代酸酯]。用[MnL](ClO4)2(L = N,N′,N″-三(2-羟丙基)-1,4,7-三氮杂环壬烷)催化其被H2O2氧化,得到2-氯乙基苯基砜和苯基乙烯基砜。

Application

2-氯乙基苯硫醚是一种硫芥试剂兴奋剂,可以用作生物检定中检测芥子试剂的目标分析物。


signalword

Danger

Hazard Classifications

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

存储类别

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



历史批次信息供参考:

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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



全球贸易项目编号

货号GTIN
417602-25ML04061837247613
417602-5ML04061837247620