| Identification | More | [Name]
Dibenzyl sulphide | [CAS]
538-74-9 | [Synonyms]
BENZYLSULFID
BENZYL SULFIDE
DIBENZYL SULFIDE
DIBENZYL SULPHIDE
[(Benzylsulfanyl)methyl]benzene
1,1’-(thiobis(methylene))bis-benzen
1,1’-(thiobis(methylene))bisbenzene
1,1’-[thiobis(methylene)]bis-benzen
1,1’-thiobis(methylene)bis-Benzene
1,3-Diphenyl-2-thiapropane
Benzyl monosulfide
Benzyl thioether
benzylmonosulfide
benzylthioether
Dibenzyl monosulfide
dibenzylmonosulfide
dibenzylthioether
Sulfide, benzyl-
sulfide,dibenzyl
Benzene, 1,1'-[thiobis(methylene)]bis- | [EINECS(EC#)]
208-703-6 | [Molecular Formula]
C14H14S | [MDL Number]
MFCD00004784 | [Molecular Weight]
214.33 | [MOL File]
538-74-9.mol |
| Chemical Properties | Back Directory | [Appearance]
beige crystals or powder with an unpleasant smell | [Melting point ]
44-47 °C (lit.) | [Boiling point ]
131 °C / 2mmHg | [density ]
1.0880 | [refractive index ]
1.6170 (estimate) | [Fp ]
>110°C | [storage temp. ]
0-10°C | [form ]
Crystals | [color ]
White | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [Water Solubility ]
<0.1 g/100 mL at 21 ºC | [Merck ]
14,1145 | [BRN ]
1911157 | [InChI]
1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2 | [InChIKey]
LUFPJJNWMYZRQE-UHFFFAOYSA-N | [SMILES]
C(SCc1ccccc1)c2ccccc2 | [LogP]
3.169 (est) | [Uses]
Organic synthesis. | [CAS DataBase Reference]
538-74-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,1'-[thiobis(methylene)]bis-(538-74-9) | [EPA Substance Registry System]
538-74-9(EPA Substance) |
| Safety Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 3335 | [WGK Germany ]
2
| [RTECS ]
DC0512500
| [F ]
13 | [TSCA ]
Yes | [HS Code ]
29309090 | [Storage Class]
11 - Combustible Solids | [Hazardous Substances Data]
538-74-9(Hazardous Substances Data) | [Toxicity]
LD50 orl-rat: >2 g/kg ATDAEI 15(Suppl 1),S89,1996 |
| Hazard Information | Back Directory | [General Description]
Colorless plates or pale beige crystalline solid with a crippling stench . | [Reactivity Profile]
Organosulfides, such as BENZYL SULFIDE(538-74-9), are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
beige crystals or powder with an unpleasant smell | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 53, p. 1480, 1975 DOI: 10.1139/v75-205
Tetrahedron Letters, 27, p. 1073, 1986 DOI: 10.1016/S0040-4039(86)80051-X | [Safety Profile]
Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofSOx. | [Purification Methods]
Crystallise the sulfide from EtOH/water (10:1), or repeatedly from Et2O. It has also been purified by chromatography on Al2O3 (pentane as eluent), then recrystallised from EtOH [Kice & Bowers J Am Chem Soc 84 2390 1962]. Dry it in a vacuum at 30o over P2O5, fused under nitrogen and re-dried. [Beilstein 6 IV 2649.] |
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