109241-56-7

Basic information

• Product Name: N-chlorobutane-1,4-diamine
• Synonyms: 1,4-butanediamine, N~1~-chloro-; 1,4-Butanediamine, N-chloro-; N-Chloro-1,4-butanediamine
• CAS NO: 109241-56-7
• Molecular Formula: C₄H₁₁ClN₂
• Molecular Weight: 122.5965
• Mol File: 109241-56-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 187.8°C at 760 mmHg
• Flash Point: 67.4°C
• Density: 1.035g/cm³
• Vapor Pressure: 0.618mmHg at 25°C
• Refractive Index: 1.461
• CAS DataBase Reference: N-chlorobutane-1,4-diamine(CAS DataBase Reference)
• NIST Chemistry Reference: N-chlorobutane-1,4-diamine(109241-56-7)
• EPA Substance Registry System: N-chlorobutane-1,4-diamine(109241-56-7)

Safety Data

• Hazardous Substances Data: 109241-56-7(Hazardous Substances Data)

Upstream product

• 110-60-1 1,4-diaminobutane 

Relevant articles and documents

1,5- Diazabicyclo[3.1.0]hexanes and 1,6-diazabicyclo[4.1.0]heptanes: A new method for the synthesis, quantum-chemical calculations, and X-ray diffraction study

A new method was developed for the synthesis of 6-substituted 1,5-diazabicyclo[3.1.0]hexanes and 7-substituted 1,6-diazabicyclo[4.1.0] heptanes by condensation of N-monohalotrimethylene- and N- monohalotetramethylenediamines with carbonyl compounds in the presence of bases. X-ray diffraction studies and quantum-chemical B3LYP/6-31G* calculations demonstrated that the conformations of the resulting bicyclic systems are stabi-lized by stereoelectronic interactions. As a result, a boat conformation prevails in 1,5-diazabicyclo[3.1.0]hexanes, whereas the energies of chair, half-chair, and boat conformations of 1,6-diazabicyclo[4.1.0]heptanes are equalized.