505-23-7
1,3-Dithiane
CAS: 505-23-7
Molecular Formula: C4H8S2
505-23-7 - Names and Identifiers
| Name | 1,3-Dithiane |
| Synonyms | m-Dithiane M-DITHIANE 1,3-Dithian dithiane-1,3 Dithiane-1,3 1,3-DITHIANE 1,3-Dithiane [1,3]Dithiane META-DITHIANE 1,3-Dithiacyclohexane |
| CAS | 505-23-7 |
| EINECS | 208-006-7 |
| InChI | InChI=1/C4H8S2/c1-2-5-4-6-3-1/h1-4H2 |
| InChIKey | WQADWIOXOXRPLN-UHFFFAOYSA-N |
505-23-7 - Physico-chemical Properties
| Molecular Formula | C4H8S2 |
| Molar Mass | 120.24 |
| Density | 1.062 (estimate) |
| Melting Point | 52-54 °C (lit.) |
| Boling Point | 207-208°C |
| Flash Point | 195°F |
| Water Solubility | Soluble in benzene, ether, chloroform and terahydrofuran. Slightly soluble in water. |
| Vapor Presure | 0.602mmHg at 25°C |
| Appearance | White crystal |
| Color | White to pale beige |
| BRN | 102534 |
| pKa | 31(at 25℃) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Hygroscopic |
| Refractive Index | 1.5981 (estimate) |
| MDL | MFCD00006654 |
| Physical and Chemical Properties | White crystals. Melting point 54 °c. Can sublimate. |
| Use | It is widely used in organic synthesis due to the reactivity of the methylene group between two sulfur atoms |
505-23-7 - Risk and Safety
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| RTECS | JO5070000 |
| FLUKA BRAND F CODES | 13 |
| HS Code | 29349990 |
| Hazard Class | 4.1 |
| Packing Group | III |
505-23-7 - Introduction
1,3-Dithiane, a protected formaldehyde anion equivalent, serves as useful labeled synthon.
Last Update：2022-10-16 17:25:38
505-23-7 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Biological activity | 1,3-Dithiane is a protected formaldehyde anion equivalent that can be used as a useful marker synthon. 1,3-Dithiane is a sulfur-containing Maillard reaction product (MRPs) found in cooked beef extracts. 1,3-Dithiane had a potent mutagenic effect on Salmonella typhimurium TA98 and TA100. |
| Uses | Due to the reactivity of the methylene group between two sulfur atoms, it is widely used in organic synthesis Used in organic synthesis. |
| Production method | The mixture of boron trifluoride ethyl ether solution, glacial acetic acid and chloroform is heated and refluxed under vigorous stirring, and 1, 3-propanedithiol and methylaldehyde dimethanol-chloroform solution are added dropwise. Then cool to room temperature. Wash with water, 10% potassium hydroxide solution and water in turn. The chloroform solution is separated from the solution for drying and concentration, the residue is dissolved in methanol, heated to boiling, filtered while hot, the filtrate is cold to room temperature, let stand overnight at -20 ℃, filter out the crystals, and dry in vacuum to obtain 1, 3-dithiane. |
Last Update：2024-04-10 22:29:15
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