2-CHLOROETHYL PHENYL SULFIDE 98% (C005B-048409)

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.

Molecular Weight: 172.68. Empirical Formula: C₈H₉ClS. linearFormula: ClCH₂CH₂SC₆H₅. 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.). 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. Pictograms: GHS05,GHS06,GHS08. Signal Word: Danger. Hazard Statements: H311 + H331 - H314 - H350. Precautionary Statements: 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 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: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter.