Synonyms: 2-(Phenylthio)ethyl chloride
CAS Number: 5535-49-9
Formula: C8H9ClS
Formula Weight: 172.68
Linear Formula: ClCH2CH2SC6H5
MDL No.: MFCD00013691
Purity: 0.98
Boiling Point: 90-91 C/1 mmHg(lit.)
Density: 1.174 g/mL at 25 C(lit.)
Refractive Index: n20/D 1.583(lit.)
Beilstein Registry Number: 1907116
EC Number: 226-891-8
UNSPSC Code: 12352100
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.
RIDADR: UN 2810 6.1 / PGII
WGK Germany: 3
Flash Point(F): 219.2 F
Flash Point(C): 104 C
R Codes: 45-23/24-34
S Codes: 53-26-36/37/39-45
IOD Codes: T
Symbol: GHS05, GHS06, GHS08
Signal Word: Danger
Hazard Statements: H311-H314-H331-H350
Precautionary statements: P201-P261-P280-P305 + P351 + P338-P310