| Identification | More | [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 Properties | Back 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 Data | Back 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 Information | Back 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 |
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