1,1'-Thiocarbonyldiimidazole , 95% , 6160-65-2

Synonym(s):
TCDI

CAS NO.：6160-65-2

Empirical Formula: C7H6N4S

Molecular Weight: 178.21

MDL number: MFCD00005289

EINECS: 228-183-4

PRODUCT Properties

• Melting point: 98-102 °C(lit.)
• Boiling point: 342°C (rough estimate)
• Density: 1.3046 (rough estimate)
• refractive index: 1.5500 (estimate)
• storage temp.: 2-8°C
• solubility: Soluble in terahydrofuran, toluene and dichloromethane.
• pka: 1.96±0.10(Predicted)
• form: Powder
• color: Bright yellow
• Water Solubility: decomposes
• Sensitive: Moisture Sensitive
• BRN: 609349
• Stability: Stable, but air and moisture sensitive. Incompatible with strong oxidizing agents, strong acids.
• InChIKey: RAFNCPHFRHZCPS-UHFFFAOYSA-N
• CAS DataBase Reference: 6160-65-2(CAS DataBase Reference)

Description and Uses

1,1'-Thiocarbonyldiimidazole (TCDI) is an imidazole compound that can be prepared by reacting thiophosphoryl chloride with two corresponding imidazoles.  Its structure has two imidazole rings, and the imidazole groups can be rapidly displaced, making it a safer alternative to thiophosphoryl chloride.  TCDI is used as an organic synthesis or chemical reaction reagent for the synthesis of thiosemicarbazones and thioamides.  It is also used in the Corey-Winter olefin synthesis and in the Barton-McCombie deoxygenation reaction.  In addition, it is the sulfur analogue of the peptide addition reagent carbodiimidazole (CDI), which is used to couple peptides.

1,1’Thiocarbonyldiimidazole can be used to deoxygenate carboxylic monosaccharide analogues.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• Hazard Codes: Xi
• Risk Statements: 22-34
• Safety Statements: 22-24/25-45-36/37/39-26
• WGK Germany: 3
• F: 9-21
• Hazard Note: Irritant/Keep Cold/Moisture Sensitive
• HS Code: 29332900