417602

2-Chloroethyl phenyl sulfide

98%

• Synonym(s): 2-(Phenylthio)ethyl chloride
• Linear Formula: ClCH₂CH₂SC₆H₅
• CAS Number: 5535-49-9
• Molecular Weight: 172.68
• Beilstein/REAXYS Number: 1907116
• EC Number: 226-891-8
• MDL number: MFCD00013691
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866164
• NACRES: NA.22

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS06,GHS08,GHS05
• signalword: Danger
• hcodes: H311 + H331,H314,H350
• pcodes: P202 - P261 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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_germany: 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