Cas no 2782-41-4 (Benzamide,N-butyl-3,5-dinitro-)

Benzamide,N-butyl-3,5-dinitro- structure
2782-41-4 structure
Product Name:Benzamide,N-butyl-3,5-dinitro-
CAS No:2782-41-4
MF:C11H13N3O5
MW:267.238022565842
CID:273473
PubChem ID:344853
Update Time:2025-04-19

Benzamide,N-butyl-3,5-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzamide,N-butyl-3,5-dinitro-
    • N-butyl-3,5-dinitrobenzamide
    • 3,5-Dinitro-benzoesaeure-butylamid
    • 3,5-Dinitro-benzoesaeure-N-n-butyl-amid
    • 3,5-dinitro-benzoic acid butylamide
    • 3,5-Dinitro-N-n-butylbenzamid
    • AC1L81I7
    • CTK4G0301
    • N-Butyl-< 3.5-dinitro-benzamid>
    • N-Butyl-3,5-dinitro-benzamid
    • NSC401979
    • STK093948
    • DTXSID20322756
    • NSC-401979
    • 2782-41-4
    • n-n-butyl-3,5-dinitrobenzamide
    • AKOS003265950
    • SCHEMBL5506840
    • Inchi: 1S/C11H13N3O5/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7H,2-4H2,1H3,(H,12,15)
    • InChI Key: FGIFCTOQWKVMBH-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])NCCCC

Computed Properties

  • Exact Mass: 267.08559
  • Monoisotopic Mass: 267.085521
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 327
  • 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
  • Topological Polar Surface Area: 121
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 408.2±35.0 °C at 760 mmHg
  • Flash Point: 200.7±25.9 °C
  • Refractive Index: 1.572
  • PSA: 115.38
  • LogP: 3.47020
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Benzamide,N-butyl-3,5-dinitro- Security Information

Benzamide,N-butyl-3,5-dinitro- Related Literature

  • 1. One-electron oxidation of closed-shell molecules. Part 3. Oxidative cleavage of 1,2,2,2-tetrakis-(p-methoxyphenyl)ethanone with dibenzoyl and bis-(3,5-dinitrobenzoyl) peroxides: mechanistic changeover of the peroxide function from radical to molecular oxidation
    Ken'ichi Takeuchi,Osamu Murai,Shin Matsui,Takeshi Inoue,Toshikazu Kitagawa,Kunio Okamoto J. Chem. Soc. Perkin Trans. 2 1983 1301
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