BENZYL PHENYL SULFID
Benzyl phenyl sulfide
CAS: 831-91-4
Molecular Formula: C13H12S
BENZYL PHENYL SULFID - Names and Identifiers
| Name | Benzyl phenyl sulfide |
| Synonyms | benzylthiobenzene BENZYL PHENYL SULFID Benzyl phenyl sulfide BENZYL PHENYL SULFIDE Phenyl benzyl sulfide Sulfide, benzyl phenyl Benzyl phenyl sulphide (benzylsulfanyl)benzene Benzyl phenyl sylphide Phenyl(phenylthio)methane [(Phenylmethyl)thio]benzene Benzyl phenyl sulfide,Benzylthiobenzene |
| CAS | 831-91-4 |
| EINECS | 212-612-7 |
| InChI | InChI=1/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | LKMCJXXOBRCATQ-UHFFFAOYSA-N |
BENZYL PHENYL SULFID - Physico-chemical Properties
| Molecular Formula | C13H12S |
| Molar Mass | 200.3 |
| Density | 1.1155 (rough estimate) |
| Melting Point | 40-44°C(lit.) |
| Boling Point | 197°C27mm Hg(lit.) |
| Flash Point | >230°F |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.000572mmHg at 25°C |
| BRN | 1909409 |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.6170 (estimate) |
| MDL | MFCD00003066 |
BENZYL PHENYL SULFID - Risk and Safety
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 13 |
| HS Code | 2930 90 98 |
BENZYL PHENYL SULFID - Reference Information
| application | phenylbenzyl sulfide can be used as an intermediate in pharmaceutical synthesis. Aryl sulfoxide and sulfide compounds are two very important compounds. They are widely found in various drug molecules and natural products. In the process of drug development, sulfur-containing compounds in various oxidation states are generally studied at the same time, because compounds with different oxidation states of similar skeletons may be active molecules, and they may also target diseases of different subspecies. |
| preparation | in a 25mL reaction tube, empty for nitrogen exchange, add eosin Y(EosinY)(2.5mg,4 * 10-3mmol), substrate 1a(73.6mg,0.2mmol), substrate 2b(135.8mg,0.6mmol), zinc acetate [Zn(OAc) 2.2H2O](4.3mg,0.02mmol), diisopropylethylamine (DIPEA)(66 μL,0.4mmol) and methanol (MeOH)(0.5mL) were stirred for 24 hours under the irradiation of a 23-watt spiral lamp tube. After the reaction was completed, it was filtered, concentrated, and separated by column chromatography (PE) to obtain colorless liquid 4f(29.2mg,73%),Rf = 0.4(PE). |
Last Update：2024-04-10 22:29:15
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