4-Iodo-3-nitroaniline

Base Information

• Chemical Name: 4-Iodo-3-nitroaniline
• CAS No.: 105752-04-3
• Molecular Formula: C6H5 I N2 O2
• Molecular Weight: 264.022
• Hs Code.: 2921420090
• European Community (EC) Number: 625-707-7
• NSC Number: 141348
• DSSTox Substance ID: DTXSID60301141
• Nikkaji Number: J519.027D
• Wikidata: Q82044758
• Mol file: 105752-04-3.mol

Synonyms:4-Iodo-3-nitroaniline;105752-04-3;3-Nitro-4-iodoaniline;NSC141348;SCHEMBL616675;4-Iodo-3-nitroaniline, 97%;DTXSID60301141;RIKZQOSCKSWUPH-UHFFFAOYSA-N;MFCD08458843;NSC-141348;CS-16728;CS-0102817;FT-0732715;D76309;J-001477

Chemical Property of 4-Iodo-3-nitroaniline

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 140-144 °C
• Refractive Index: 1.726
• Boiling Point: 371.1°C at 760 mmHg
• PKA: 1.80±0.10(Predicted)
• Flash Point: 178.2°C
• PSA: 71.84000
• Density: 2.101g/cm³
• LogP: 2.88600
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 263.93957
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodo-3-nitroaniline 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])I

Technology Process of 4-Iodo-3-nitroaniline

There total 8 articles about 4-Iodo-3-nitroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

3-nitro-aniline (99-09-2) → 3-nitro-4-iodoaniline (105752-04-3)

Guidance literature:

With iodine; iodic acid; In ethanol; water; for 0.0833333h; Reflux;

DOI:10.1080/00397910903457332

Reference yield: 70.0%

p-aminoiodobenzene (540-37-4) → 3-nitro-4-iodoaniline (105752-04-3)

Guidance literature:

With sulfuric acid; guanidine nitrate; at 0 - 5 ℃; for 1h;

DOI:10.1016/j.tetlet.2004.09.140

Reference yield: 45.0%

3-nitro-aniline (99-09-2) → 2-iodo-5-nitroaniline (5459-50-7) + 3-nitro-4-iodoaniline (105752-04-3)

Guidance literature:

With potassium dichloroiodate; In methanol; water; Heating;

upstream raw materials:

3-nitro-aniline

hydrogenchloride

p-aminoiodobenzene

1-iodo-2,4-dinitrobenzene

Refernces

• 1、 Kahandal, Sandeep S.,Kale, Sandip R.,Gawande, Manoj B.,Zboril, Radek,Varma, Rajender S.,Jayaram, Radha V.. "Greener iodination of arenes using sulphated ceria-zirconia catalysts in polyethylene glycol". . p. 6267 - 6274. Retrieved 2014.
• 2、 Borkar, Vitthal T.. "A novel ternary approach to quantitatively assess the reactivity of nitroaniline regioisomers by investigation of rapid iodination kinetics using hydrodynamic voltammetry, reduction propensities from polarography, and binding affinities from molecular docking simulations". . p. 1193 - 1202. Retrieved 2021/07/31.
• 3、 -. "Compound, organic light-emitting device including the same and flat display apparatus". Paragraph 0323; 0324; 0325. . Retrieved 2016/10/10.