ChemicalBook--->CAS DataBase List--->831-91-4

831-91-4

831-91-4 Structure

831-91-4 Structure
IdentificationMore
[Name]

BENZYL PHENYL SULFIDE
[CAS]

831-91-4
[Synonyms]

BENZYL PHENYL SULFIDE
BENZYL PHENYL SULPHIDE
[(Phenylsulfanyl)methyl]benzene
1,2-Diphenyl-1-thiaethane
Phenyl benzyl sulfide
Sulfide, benzyl phenyl
benzylthiobenzene
[(Phenylmethyl)thio]benzene
Phenyl(phenylthio)methane
[EINECS(EC#)]

212-612-7
[Molecular Formula]

C13H12S
[MDL Number]

MFCD00003066
[Molecular Weight]

200.3
[MOL File]

831-91-4.mol
Chemical PropertiesBack Directory
[Appearance]

COLORLESS TO WHITE CRYSTALS OR CRYSTALLINE POWDER
[Melting point ]

40-44 °C(lit.)
[Boiling point ]

197 °C27 mm Hg(lit.)
[density ]

1.1155 (rough estimate)
[refractive index ]

1.6170 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[form ]

powder to crystal
[color ]

White to Light yellow
[Water Solubility ]

Insoluble in water.
[BRN ]

1909409
[InChI]

1S/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
[InChIKey]

LKMCJXXOBRCATQ-UHFFFAOYSA-N
[SMILES]

S(Cc2ccccc2)c1ccccc1
[CAS DataBase Reference]

831-91-4(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

13
[HS Code ]

2930 90 98
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

COLORLESS TO WHITE CRYSTALS OR CRYSTALLINE POWDER
[Uses]

Benzyl phenyl sulfide is used in dyestuff intermediate, flavor & fragrance intermediate and organic intermediate.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 42, p. 4275, 1977 DOI: 10.1021/jo00862a026
Tetrahedron Letters, 33, p. 7293, 1992 DOI: 10.1016/S0040-4039(00)60169-7
[Synthesis]

In a 25 mL reaction tube, evacuated for nitrogen, eosin Y (EosinY) (2.5 mg, 4*10-3 mmol), substrate 1a (73.6 mg, 0.2 mmol), substrate 2b (135.8 mg, 0.6 mmol), zinc acetate [Zn(OAc)2-2H2O] (4.3 mg, 0.02 mmol), diisopropyl Ethylamine (DIPEA) (66 μL, 0.4 mmo
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL PHENYL SULFIDE(831-91-4)MS
BENZYL PHENYL SULFIDE(831-91-4)1HNMR
BENZYL PHENYL SULFIDE(831-91-4)13CNMR
BENZYL PHENYL SULFIDE(831-91-4)IR1
BENZYL PHENYL SULFIDE(831-91-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzyl phenyl sulfide, 99%(831-91-4)
[Alfa Aesar]

Benzyl phenyl sulfide, 98%(831-91-4)
[Sigma Aldrich]

831-91-4(sigmaaldrich)
[TCI AMERICA]

Benzyl Phenyl Sulfide,>98.0%(GC)(831-91-4)
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