1,1'-Thiocarbonyldiimidazole
1,1'-Thiocarbonyldiimidazole
CAS: 6160-65-2
Molecular Formula: C7H6N4S
1,1'-Thiocarbonyldiimidazole - Names and Identifiers
| Name | 1,1'-Thiocarbonyldiimidazole |
| Synonyms | TCDI DiiMidaz 1,1-Thiocarbonyldiimidazole 1,1'-THIOCARBONYLDIIMIDAZOLE N,N'-Thiocarbonyldiimidazole 1,1'-Thiocarbonyldiimidazole N,N'-THIOCARBONYLDIIMIDAZOLE 1,1-thiocarbonylbis(imidazole) 1,1'-thiocarbonylbis(imidazole) di-1H-imidazol-1-ylmethanethione N, N - sulfur carbonyl iMidazole 1,1'-CARBONOTHIOYLBIS-1H-IMIDAZOLE 1-(1H-IMidazol-1-ylcarbothioyl)-1H-iMidazole |
| CAS | 6160-65-2 |
| EINECS | 228-183-4 |
| InChI | InChI=1/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H |
| InChIKey | RAFNCPHFRHZCPS-UHFFFAOYSA-N |
1,1'-Thiocarbonyldiimidazole - Physico-chemical Properties
| Molecular Formula | C7H6N4S |
| Molar Mass | 178.21 |
| Density | 1.3046 (rough estimate) |
| Melting Point | 98-102°C(lit.) |
| Boling Point | 342°C (rough estimate) |
| Flash Point | 190.1°C |
| Water Solubility | decomposes |
| Solubility | Soluble in terahydrofuran, toluene and dichloromethane. |
| Vapor Presure | 2.58E-06mmHg at 25°C |
| Appearance | Yellow powder |
| Color | Bright yellow |
| BRN | 609349 |
| pKa | 1.96±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Stable, but air and moisture sensitive. Incompatible with strong oxidizing agents, strong acids. |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.5500 (estimate) |
| MDL | MFCD00005289 |
| Use | For the protection of groups in biochemical synthesis reactions and the connection of protein peptide chains |
1,1'-Thiocarbonyldiimidazole - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R22 - Harmful if swallowed R34 - Causes burns |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 9-21 |
| HS Code | 29332900 |
| Hazard Note | Irritant/Keep Cold/Moisture Sensitive |
1,1'-Thiocarbonyldiimidazole - Introduction
Soluble in water and decompose.
Last Update：2022-10-16 17:27:10
1,1'-Thiocarbonyldiimidazole - Reference Information
| preparation | N,N'-thiocarbonyldiimidazole can be prepared from 1-(trimethylsilyl) imidazole and thiophosgene were prepared by one-step reaction. 1-(trimethylsilyl) imidazole (7.7g,55mmol) was placed in a flame drying flask equipped with a high efficiency condenser, together with 50ml of dry benzene (distilled from CaH2). The flask was filled with a nitrogen atmosphere and cooled to a temperature of 0 °c. Thiphosgene (3.2g,28 mmol) was added slowly to the flask using a syringe. After the addition, the mixture was stirred at 0 °c for an additional 1 hour. The solvent was removed under vacuum in the chamber to give a yellow solid. The solid was dried under high vacuum for several days to give a yellow solid (4.81g) in 98% yield, mp 98-100 degrees. |
| uses | used for group protection and protein peptide chain connection in biochemical synthesis reactions pharmaceutical raw materials and intermediates. |
Last Update：2024-04-10 22:29:15
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