Xanthopoulos, C. E.’s team published research in Structural Chemistry in 5 | CAS: 39115-95-2

Structural Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C5H6BNO2, Formula: C7H7IN2O.

Xanthopoulos, C. E. published the artcileStructural properties and potential reactivity of substituted 3-aroyldithiocarbazates, Formula: C7H7IN2O, the publication is Structural Chemistry (1994), 5(3), 147-54, database is CAplus.

The substituted 3-aroyldithiocarbazates I (X = H, halo, nitro, alkyl, etc.) were prepared The corresponding acid dissociation constants were determined potentiometrically. Semiempirical PM3 MO calculations suggest the existence of several tautomeric forms of the compounds Geometrical parameters, proton affinities, and static reactivity indexes have been examined Structural properties and protonation sites are well described by calculations The strong correlations between the pKa values and the Hammett σ constants as well as the N(3) calculated proton affinities indicate that the N(3) atom is the most probable protonation site. The thermodn. of the protonation process are mainly controlled by HOMO-LUMO rather than electrostatic interactions. According to PM3 results, 3-aroyldithiocarbazic acid should be quite stable in the gas phase, while a mechanism for its decomposition in solution is proposed.

Structural Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C5H6BNO2, Formula: C7H7IN2O.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com