99968-83-9 Usage
Uses
Used in Pharmaceutical Synthesis:
3-Amino-4-iodophenol is used as a key intermediate for the development of new pharmaceuticals, due to its unique structure and reactivity.
Used in Dye Production:
3-Amino-4-iodophenol is used as a precursor in the production of dyes, contributing to the coloration and properties of various dye products.
Used in Organic Compound Synthesis:
3-Amino-4-iodophenol is used as a versatile building block for the synthesis of a wide range of organic compounds, enhancing the diversity of chemical products.
Used in Imaging and Diagnostic Techniques:
3-Amino-4-iodophenol is used as a potential agent in imaging and diagnostic techniques, leveraging its chemical properties for medical applications.
Used in Organic Pigments Production:
3-Amino-4-iodophenol is used in the production of organic pigments, contributing to the color and performance of pigments in various industries.
Used in Functional Materials Development:
3-Amino-4-iodophenol is used in the development of functional materials, where its unique properties can be harnessed for specific applications in various fields.
Check Digit Verification of cas no
The CAS Registry Mumber 99968-83-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,9,9,6 and 8 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 99968-83:
(7*9)+(6*9)+(5*9)+(4*6)+(3*8)+(2*8)+(1*3)=229
229 % 10 = 9
So 99968-83-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H6INO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
99968-83-9Relevant academic research and scientific papers
Hoque, Mohammad Mazharol,Halim, Mohammad A.,Rahman, Mohammad Mizanur,Hossain, Mohammad Ismail,Khan, Md. Wahab
, p. 367 - 374 (2013)
This study reports a simple and efficient method for the direct iodination of substituted anilines with molecular iodine and copper acetate in acetic acid producing 2-iodoacetanilies and 2-iodoanilines. Employing density functional theory (B3LYP) and MidiX basis set, computational study is performed to calculate equilibrium geometries, IR vibrational frequencies, and thermodynamic properties including change of energy, enthalpy and Gibbs free energies. The optimized geometries indicated longer C-I bond distance (2.133 ?) which makes iodine slightly positive. The partial atomic charge profile and electrostatic potential further confirmed that most of the iodinated products are capable of forming a distinct halogen bonding . The thermodynamic properties disclosed that all iodination reactions are endothermic. Understanding the substituents' effect, molecular frontier orbital (MO) calculations are conducted finding the HOMO, LUMO and HOMO-LUMO gaps for all compounds. The MO calculations revealed that two electron-withdrawing iodine groups have significant influence on lowering the HOMO-LUMO gap compared to one iodine group in the products.
