Cas no 27141-65-7 (Aziridine,1-(2,4-dinitrophenyl)-)

Aziridine,1-(2,4-dinitrophenyl)- structure
27141-65-7 structure
Product Name:Aziridine,1-(2,4-dinitrophenyl)-
CAS No:27141-65-7
MF:C8H7N3O4
MW:209.158881425858
CID:267715
PubChem ID:94803
Update Time:2025-04-19

Aziridine,1-(2,4-dinitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Aziridine,1-(2,4-dinitrophenyl)-
    • 1-(2,4-Dinitrophenyl)aziridine
    • AC1L3SXR
    • AC1Q1YZ9
    • CB 1837
    • CB-1837
    • CHEMBL507186
    • NSC3375
    • 27141-65-7
    • MLS002637690
    • 2,4-Dinitrophenylaziridin
    • DTXSID80181604
    • SMR001547213
    • Aziridine,4-dinitrophenyl)-
    • HMS3085M21
    • NSC-3375
    • Aziridine, 1-(2,4-dinitrophenyl)-
    • AI3-51871
    • NSC 3375
    • SCHEMBL9396792
    • 1-(1-Aziridinyl)-2,4-dinitrobenzene
    • AKOS040751043
    • Inchi： 1S/C8H7N3O4/c12-10(13)6-1-2-7(9-3-4-9)8(5-6)11(14)15/h1-2,5H,3-4H2
    • InChI Key： TVSWGBWBKSQDMI-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=C(C=CC=1N1CC1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 209.04371
  • Monoisotopic Mass: 209.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 281
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 94.6?2

Experimental Properties

  • Density: 1.582
  • Boiling Point: 389.5°Cat760mmHg
  • Flash Point: 189.3°C
  • Refractive Index: 1.686
  • PSA: 89.29
  • LogP: 2.43440

Aziridine,1-(2,4-dinitrophenyl)- Related Literature

  • 1. Medicinal nitro-compounds. Part II. Search for ortho-interactions in tumour-inhibitory 2,4-dinitrophenylaziridines
    Graham A. M. Butchart,Malcolm F. G. Stevens,Brian C. Gunn J. Chem. Soc. Perkin Trans. 1 1975 956

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