ChemicalBook--->CAS DataBase List--->5535-49-9

5535-49-9

5535-49-9 Structure

5535-49-9 Structure
IdentificationMore
[Name]

2-CHLOROETHYL PHENYL SULFIDE
[CAS]

5535-49-9
[Synonyms]

2-CHLOROETHYL PHENYL SULFIDE
2-CHLOROETHYL PHENYL SULPHIDE
[(2-CHLOROETHYL)THIO]BENZENE
2-(PHENYLTHIO)ETHYL CHLORIDE
2-Chlorethyl-phenylsulfid
1-CHLORO-2-(PHENYTHIO)ETHANE
(2-Chloroethyl)thiobenzene, 2-(Phenylthio)ethyl chloride
3-chloroethyl phenyl sulfide
1-[(2-Chloroethyl)thio]benzene
1-Chloro-2-(phenylthio)ethane
Phenyl 2-chloroethyl sulfide
[EINECS(EC#)]

226-891-8
[Molecular Formula]

C8H9ClS
[MDL Number]

MFCD00013691
[Molecular Weight]

172.68
[MOL File]

5535-49-9.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS LIQUID
[Boiling point ]

90-91 °C/1 mmHg (lit.)
[density ]

1.174 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.583(lit.)
[Fp ]

104 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

1.174
[BRN ]

1907116
[InChI]

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

QDXIHHOPZFCEAP-UHFFFAOYSA-N
[SMILES]

ClCCSc1ccccc1
[CAS DataBase Reference]

5535-49-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C,T,Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2810 6.1/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2930909899
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Carc. 1A
Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLORLESS LIQUID
[Uses]

2-Chloroethyl phenyl sulfide, a sulfur mustard agent stimulant, may be used as target analyte in a bioassay for the detection of mustard agent.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 58, p. 4506, 1993 DOI: 10.1021/jo00068a063
Synthesis, p. 577, 1978
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLOROETHYL PHENYL SULFIDE(5535-49-9)MS
2-CHLOROETHYL PHENYL SULFIDE(5535-49-9)1HNMR
2-CHLOROETHYL PHENYL SULFIDE(5535-49-9)13CNMR
2-CHLOROETHYL PHENYL SULFIDE(5535-49-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Chloroethyl phenyl sulfide, 98%(5535-49-9)
[Sigma Aldrich]

5535-49-9(sigmaaldrich)
[TCI AMERICA]

2-Chloroethyl Phenyl Sulfide,>98.0%(GC)(5535-49-9)
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