1192-75-2

Basic information

• Product Name: Bis(1-aziridinyl) ketone
• Synonyms: Bis(1-aziridinyl) ketone;Aziridine, 1,1'-carbonylbis-;Bisethyleneurea;Carbonylbis(1-aziridine);Carbonylbis(aziridine);N,N'-Diethyleneurea;Nsc52376
• CAS NO: 1192-75-2
• Molecular Formula: C5H8N2O
• Molecular Weight: 112.12982
• Mol File: 1192-75-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 210.05°C (rough estimate)
• Flash Point: 71.6°C
• Appearance: /
• Density: 1.1524 (rough estimate)
• Vapor Pressure: 1.1mmHg at 25°C
• Refractive Index: 1.4730 (estimate)
• CAS DataBase Reference: Bis(1-aziridinyl) ketone(CAS DataBase Reference)
• NIST Chemistry Reference: Bis(1-aziridinyl) ketone(1192-75-2)
• EPA Substance Registry System: Bis(1-aziridinyl) ketone(1192-75-2)

Safety Data

• Hazardous Substances Data: 1192-75-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H8N2O/c8-5(6-1-2-6)7-3-4-7/h1-4H2

Upstream product

• 151-56-4 ethyleneimine 
• 75-44-5 phosgene 

Downstream Products

• 13908-85-5 1,3-Bis(2-bromoethyl)urea 
• 13907-71-6 C₅H₉Br₂N₃O₂ 
• 13908-91-3 1,3-bis(2-fluoroethyl)-1-nitrosourea 
• 13907-92-1 1,3-bis-(2-fluoroethyl) urea 

Relevant articles and documents

ELECTRONIC STRUCTURE AND CONFORMATIONAL PROPERTIES OF THE AMIDE LINKAGE PART 3. Conformational properties and molecular structure of 1,1'-carbonylbisaziridine determined by MNDO calculations and X-ray diffraction

The conformational properties of 1,1'-carbonylbisaziridine (2) have been studied by MNDO calculations.A structure with C2-symmetry has been found as the most stable conformer.C2v-structures correspond to conformers of higher energy.The X-ray structure analysis confirmed the theoretical results.The following structural parameters have been found: C=O 1.211(2), C-N 1.389(1), N-C(ring) 1.455(2) and 1.460(2), C-C 1.485(2) Angstroem, O-C-N 123.5(1), C-N-C(ring) 120.2(1) and 121.6(1) deg, torsional angle φ = 83.8(1) deg.Substituent effects on the structure of the aziridine ring are discussed.