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ChemicalBook--->CAS DataBase List--->5296-64-0

5296-64-0

5296-64-0 Structure

5296-64-0 Structure
IdentificationMore
[Name]

ALLYL PHENYL SULFIDE
[CAS]

5296-64-0
[Synonyms]

ALLYL PHENYL SULFIDE
ALLYL PHENYL SULPHIDE
(Allylsulfanyl)benzene
(Allylthio)benzene
3-(Phenylthio)prop-1-ene
3-(Phenylthio)propene
Allyl phenyl thioether
Benzene, (2-propenylthio)-
Phenyl allyl sulfide
Phenyl allyl thioether
Sulfide, allyl phenyl
Allylphenylsulfide,97%
(2-Propenylthio)benzene
2-Propenyl phenyl sulfide
[EINECS(EC#)]

226-142-5
[Molecular Formula]

C9H10S
[MDL Number]

MFCD00014957
[Molecular Weight]

150.24
[MOL File]

5296-64-0.mol
Chemical PropertiesBack Directory
[Melting point ]

-48--46.5 °C
[Boiling point ]

223-225 °C(lit.)
[density ]

1.024 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.572
[Fp ]

>98°C
[solubility ]

insol water; sol most organic solvents
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Sensitive ]

Air Sensitive
[BRN ]

1856940
[LogP]

3.510
[CAS DataBase Reference]

5296-64-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21:Harmful by inhalation and in contact with skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2810 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

WR2400000
[F ]

13
[HS Code ]

2930.90.2900
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Synthesis Reference(s)]

Synthesis, p. 625, 1984
Tetrahedron, 47, p. 8621, 1991 DOI: 10.1016/S0040-4020(01)82405-4
Tetrahedron Letters, 20, p. 1481, 1979
[Solubility in organics]

ALLYL PHENYL SULFIDE is insol in water; sol most in organic solvents.
[Purification Methods]

Dissolve the sulfide in Et2O, wash with alkali, H2O, dry over CaCl2, evaporate and fractionally distil it, preferably under vacuum. It should not give a precipitate with an alcoholic solution of Pb(OAc)2. [Hurd & Greengard J Am Chem Soc 52 3356 1930, Tarbell & McCall J Am Chem Soc 74 48 1952, Beilstein 6 IV 1479.]
[Preparation and handling]

ALLYL PHENYL SULFIDE can be made from Allyl Bromide and sodium thiophenolate in ethanol.
Handling, Storage, and Precautions: must be handled in a fume hood due to stench caused by  contamination with Thiophenol. The pure sulfide has a more agreeable odor with a sweet overtone. No  special precautions are necessary when handling in the atmosphere for weighing and transferring. In order  to avoid autoxidation the sulfide should be stored in a well sealed vessel with exclusion of oxygen and moisture at 4 °C.
Spectrum DetailBack Directory
[Spectrum Detail]

ALLYL PHENYL SULFIDE(5296-64-0)MS
ALLYL PHENYL SULFIDE(5296-64-0)1HNMR
ALLYL PHENYL SULFIDE(5296-64-0)13CNMR
ALLYL PHENYL SULFIDE(5296-64-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Allyl phenyl sulfide, 97%(5296-64-0)
[Sigma Aldrich]

5296-64-0(sigmaaldrich)
[TCI AMERICA]

Allyl Phenyl Sulfide,>98.0%(GC)(5296-64-0)
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