99268-62-9

Basic information

• Product Name: 1,3-dinitro-4-phenanthryl methyl ether
• Synonyms: 1,3-dinitro-4-phenanthryl methyl ether
• CAS NO: 99268-62-9
• Molecular Weight: 298.255
• Mol File: 99268-62-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,3-dinitro-4-phenanthryl methyl ether(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dinitro-4-phenanthryl methyl ether(99268-62-9)
• EPA Substance Registry System: 1,3-dinitro-4-phenanthryl methyl ether(99268-62-9)

Safety Data

• Hazardous Substances Data: 99268-62-9(Hazardous Substances Data)

Relevant articles and documents

Aromatic Nucleophilic Substitution. 21. Electronic Structures of 1,3-Dinitro-4-phenanthryl Methyl Ether and the 4,4-Disubstituted 1,3-Dinitrophenanthrene Meisenheimer Complex

The electronic structures of 1,3-dinitro-4-phenanthryl methyl ether (2) and its 4,4-dimethoxy-1,3-dinitrophenanthrene Meisenheimer complex (3), formed from 2 and NaOCH3, were studied by UV-visible and NMR spectra and compared with the results calculated by a semiempirical Pariser-Parr-Pople method.The electronic transitions in the ether 2 and complex 3 were assigned to *? ?.Calculated transition energies and oscillator strengths agree well with the observed values.Calculations showed that in the S0 state of complex 3 90.3percent of one negative charge donated by -OCH3 is distributed on the 1- and 3-NO2 groups and that in the S1 S0 transition of the complex the ? formal charge is further spread over the 1- and 3-NO2 groups.A kinetic measurement in CH3OH at 25 deg C gave a little smaller equilibrium constant for formation of 3 than that for the similar naphthalene anionic ? complex.