3468-11-9 Usage
Chemical Properties
Off yellow crystals
Uses
1,3-Diiminoisoindoline is a useful compound in the production of colouring compositions. Dyes and metabolites.
Flammability and Explosibility
Notclassified
Safety Profile
A severe eye and skin
irritant. Questionable carcinogen with
experimental carcinogenic and tumorigenic
data. When heated to decomposition it
emits toxic fumes of Nox
Purification Methods
It crystallises from H2O, MeOH or MeOH/Et2O (charcoal) in colourless prisms that become green on heating. [Elvidge & Linstead J Chem Soc 5000 1952]. IR (nujol): 3150 and 690 cm-1 , and UV: max 251nm ( 12,500), 256nm ( 12,5000) and 303nm ( 4,600) [Elvidge & Golden J Chem Soc 700 1957, Clark et al. J Chem Soc 3593 1953]. The thiocyanate has m 250-255o (dec), the monohydrochloride has m 300-301o (turns green), and the dihydrochloride has m 326-328o (turns green) and the picrate crystallises from EtOH with m 299o (dec). [Beilstein 22/13 V 5.]
Check Digit Verification of cas no
The CAS Registry Mumber 3468-11-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,4,6 and 8 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 3468-11:
(6*3)+(5*4)+(4*6)+(3*8)+(2*1)+(1*1)=89
89 % 10 = 9
So 3468-11-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
3468-11-9Relevant articles and documents
The unsubstituted ortho-amidino benzoic acid: crystal structure, characterization and pK a determination
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)
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.
