41891-03-6

Basic information

• Product Name: Cyclohexane, 1-ethynyl-1-isocyanato- (9CI)
• Synonyms: Cyclohexane, 1-ethynyl-1-isocyanato- (9CI)
• CAS NO: 41891-03-6
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.18974
• Mol File: 41891-03-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 193.9±19.0 °C(Predicted)
• Appearance: /
• Density: 0.96±0.1 g/cm3(Predicted)
• CAS DataBase Reference: Cyclohexane, 1-ethynyl-1-isocyanato- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexane, 1-ethynyl-1-isocyanato- (9CI)(41891-03-6)
• EPA Substance Registry System: Cyclohexane, 1-ethynyl-1-isocyanato- (9CI)(41891-03-6)

Safety Data

• Hazardous Substances Data: 41891-03-6(Hazardous Substances Data)

Upstream product

• 75-44-5 phosgene 
• 30389-18-5 1-Ethynylcyclohexylamine 

Downstream Products

• 819803-57-1 C₁₀H₁₅N₃O₂ 

Relevant articles and documents

Manipulation of N,O-nucleophilicity: Efficient formation of 4-N-substituted 2,4-dihydro-3H-1,2,4-triazolin-3-ones

(Chemical Equation Presented) A new efficient two-step synthesis of 2,4-dihydro-3H-1,2,4-triazolin-3-ones (triazolinones) from readily available amines is reported. Our novel conditions using hexamethyl disilazane, bromotrimethylsilane, and a catalytic amount of ammonium sulfate smoothly cyclize 1-formyl and 1-acetyl semicarbazides to the target triazolinones. This transformation features simultaneous manipulation of N- and O-nucleophilicity as well as differentiation of the nucleophilicity of a urea and an acyl carbonyl.