cas 3468-11-9, 1,3-Diiminoisoindoline | Articles data ｜lookchem

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3468-11-9

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The unsubstituted ortho-amidino benzoic acid: crystal structure, characterization and pK a determination
The simplest o-amidino benzoic acid—2-(amino(imino)methyl)benzoic acid—has been isolated in 23?% yield as a side product of the reaction of phthalonitrile and ammonia along with desired 1-imino-1H-isoindol-3-amine. This amidino acid was fully characterized by nuclear magnetic resonance, IR spectroscopy, mass spectrometry; pKa values were also determined. X-ray diffraction study and quantum chemical calculations revealed that in the solid state it exists as a zwitterion that is stabilized by intermolecular hydrogen bonds.
Hordiyenko, Olga V.,Biitseva, Angelina V.,Kostina, Yuliya Yu.,Zubatyuk, Roman I.,Shishkin, Oleg V.,Groth, Ulrich M.,Kornilov, Mikhail Yu.
p. 607 - 616
(2017)
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Use of diiminoisoindoline derivatives or 3-aminoisoindolone derivatives for dyeing keratin fibers, and dye compositions containing them
Diiminoisoindoline derivatives or 3-aminoisoindolone derivatives, or tautomeric forms thereof, used as oxidizing-agent-free dye precursors in dyeing keratin fibers, in particular human keratin fibers such as the hair, without an oxidizing agent, in the presence of compounds containing a primary or secondary amine function; dye compositions containing these compounds and to the dyeing devices and processes used.
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(2008/06/13)

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91-15-6
phthalonitrile

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Chemical Properties

Melting Point: ~197 °C (dec.)(lit.)
Boiling Point: 300.5 °C at 760 mmHg
Flash Point:135.5 °C
Density: 1.41 g/cm³
Solubility:DMSO (Slightly, Sonicated), Methanol (Slightly)
Storage Temp.:-20°C Freezer, Under inert atmosphere
Vapor Pressure: 0.00112mmHg at 25°C
Refractive Index: 1.737
PKA: 8.47±0.20(Predicted)
BRN: 118477
PSA: 62.23000
LogP: 0.96650

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