2,6-Diiodo-4-nitrophenol

Base Information

• Chemical Name: 2,6-Diiodo-4-nitrophenol
• CAS No.: 305-85-1
• Deprecated CAS: 8026-93-5
• Molecular Formula: C6H3I2NO3
• Molecular Weight: 390.904
• Hs Code.: 2908999090
• European Community (EC) Number: 206-170-4
• NSC Number: 94733
• UN Number: 2811
• UNII: 39S5ZJ6SYN
• DSSTox Substance ID: DTXSID4046573
• Nikkaji Number: J154.151J
• Wikidata: Q27155583
• NCI Thesaurus Code: C75215
• ChEMBL ID: CHEMBL1361334
• Mol file: 305-85-1.mol

Synonyms:Ancylol;disophenol;Syngamix

Chemical Property of 2,6-Diiodo-4-nitrophenol

Chemical Property:

• Appearance/Colour: yellow crystalline solid
• Vapor Pressure: 0.000325mmHg at 25°C
• Melting Point: 152-154 °C(lit.)
• Boiling Point: 310.6 °C at 760 mmHg
• PKA: 3.85±0.44(Predicted)
• Flash Point: 141.6 °C
• PSA: 66.05000
• Density: 2.717 g/cm³
• LogP: 3.03280
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• Water Solubility.: very sparingly soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 390.82024
• Heavy Atom Count: 12
• Complexity: 172
• Transport DOT Label: Poison

Purity/Quality:

99.5% ^*data from raw suppliers

2,6-Diiodo-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38-25
• Safety Statements: 26-28-36/37/39-45-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1I)O)I)[N+](=O)[O-]

Technology Process of 2,6-Diiodo-4-nitrophenol

There total 26 articles about 2,6-Diiodo-4-nitrophenol 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: 50.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 2,6-diiodo-4-nitrophenol (305-85-1) + 2-iodo-4-nitrophenol (89487-91-2)

Guidance literature:

With iodine; silver sulfate; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1021/jo048132o

Reference yield:

p-nitrobenzene iodide (636-98-6) → para-dinitrobenzene (100-25-4) + 2,6-diiodo-4-nitrophenol (305-85-1)

Guidance literature:

With sodium nitrite;

Reference yield:

1-iodyl-4-nitrobenzene (16825-79-9) → para-dinitrobenzene (100-25-4) + 2,6-diiodo-4-nitrophenol (305-85-1)

Guidance literature:

upstream raw materials:

1-iodyl-4-nitrobenzene

sodium phenoxide

p-nitrobenzene iodide

4-nitro-phenol

Downstream raw materials:

4-amino-2-iodophenol

Sodium; 2,6-diiodo-4-nitro-phenolate

2,6-diiodo-4-nitro-(2-allyl)-oxybenzene

1-methoxy-2,6-diiodido-4-nitrobenzene

Refernces

• 1、 Zupanc, An?e,Jereb, Marjan. "One-Pot Synthesis of N-Iodo Sulfoximines from Sulfides". . p. 5991 - 6000. Retrieved 2021/05/05.
• 2、 -. "Quinazoline derivative and preparation method and application thereof". Paragraph 0099-0100. . Retrieved 2020/07/15.