ChemicalBook--->CAS DataBase List--->7205-91-6

7205-91-6

7205-91-6 Structure

7205-91-6 Structure
IdentificationMore
[Name]

CHLOROMETHYL PHENYL SULFIDE
[CAS]

7205-91-6
[Synonyms]

ALPHA-CHLOROTHIOANISOLE
CHLOROMETHYL PHENYL SULFIDE
CHLOROMETHYL PHENYL SULPHIDE
Chlorothioanisole
[(chloromethyl)thio]benzene
ALPHA-CHLOROTHIOANISOLE 95+%
Benzene, (chloromethyl)thio-
(phenylthio)methyl chloride
Chloromethyl phenyl sulphide 98%
CHLOROMETHYL PHENYL SULLFIDE, 97%
(chloromethyl)(phenyl)sulfane
Phenyl(chloromethyl) sulfide
[EINECS(EC#)]

230-579-7
[Molecular Formula]

C7H7ClS
[MDL Number]

MFCD00000921
[Molecular Weight]

158.65
[MOL File]

7205-91-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

66 °C/0.2 mmHg (lit.)
[density ]

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

n20/D 1.594(lit.)
[Fp ]

214 °F
[storage temp. ]

Refrigerator
[solubility ]

sol most organic solvents; insol H2O
[form ]

Liquid
[color ]

Clear colorless to pale yellow
[Sensitive ]

Stench
[BRN ]

1617369
[InChI]

1S/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
[InChIKey]

LLSMWLJPWFSMCP-UHFFFAOYSA-N
[SMILES]

ClCSc1ccccc1
[CAS DataBase Reference]

7205-91-6(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[F ]

10-13
[Hazard Note ]

Stench
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29309099
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Reagent for the high-yield thiomethylation of O-silylated lactone and ester enolates in the synthesis of α-methylene lactones and esters.
[Uses]

Reagent for the high-yield thiomethylation of O-silylated lactone and ester enolates in the synthesis of α-methylene lactones and esters.1
[Synthesis]

The two most convenient methods of chloromethyl phenyl sulfide are the reaction of Thioanisole with Sulfuryl Chloride and the reaction of Thiophenol with bromochloromethane using 1,8-Diazabicyclo[5.4.0]undec-7-ene or an alkali metal hydroxide as the base.
[storage]

Chloromethyl phenyl sulfideshould be handled in a well-ventilated fume hood and kept cooled. Freshly prepared material can be stored at 0-5 °C without any appreciable decomposition. It is advisable to use freshly prepared or distilled material for reactions.
[Purification Methods]

Dissolve the sulfide in CH2Cl2 or CCl4 and dry it (CaCl2), or pass it through a tube of CaCl2 and distil it using a fractionating column. Harmful vapours. It gives the sulfone [7205-98-3] (b 130o/1mm and m 53o from EtOH) [Beilstein 6 IV 1507] on oxidation with permonophthalic acid. [B.hme et al. Justus Liebigs Ann Chem 563 54 64 1949.] [Beilstein 6 III 1002.]
Spectrum DetailBack Directory
[Spectrum Detail]

CHLOROMETHYL PHENYL SULFIDE(7205-91-6)MS
CHLOROMETHYL PHENYL SULFIDE(7205-91-6)1HNMR
CHLOROMETHYL PHENYL SULFIDE(7205-91-6)IR1
CHLOROMETHYL PHENYL SULFIDE(7205-91-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

7205-91-6(sigmaaldrich)
[TCI AMERICA]

alpha-Chlorothioanisole,>95.0%(GC)(7205-91-6)
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