2-Iodo-5-nitrophenol

Base Information

• Chemical Name: 2-Iodo-5-nitrophenol
• CAS No.: 197243-46-2
• Molecular Formula: C6H4INO3
• Molecular Weight: 265.007
• European Community (EC) Number: 899-341-3
• DSSTox Substance ID: DTXSID40595465
• Nikkaji Number: J1.835.192G
• Wikidata: Q82490474
• Mol file: 197243-46-2.mol

Synonyms:2-Iodo-5-nitrophenol;197243-46-2;Phenol, 2-iodo-5-nitro-;MFCD11036284;2-iodo-5-nitro-phenol;SCHEMBL205380;DTXSID40595465;KUACYTMKOLNBNK-UHFFFAOYSA-N;XHA24346;AKOS016007340;AM807744;AS-32290;DA-26089;SY192311;CS-0060329;EN300-76444;A849216

Chemical Property of 2-Iodo-5-nitrophenol

Chemical Property:

• Boiling Point: 278.9±30.0 °C(Predicted)
• PKA: 6.74±0.19(Predicted)
• PSA: 66.05000
• Density: 2.176±0.06 g/cm3(Predicted)
• LogP: 2.42820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 264.92359
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-5-nitrophenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-5-nitrophenol

There total 9 articles about 2-Iodo-5-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: 85.0%

5-Nitro-2-aminophenol (121-88-0) → 2-iodo-5-nitrophenol (197243-46-2)

Guidance literature:

With sodium iodide; sodium nitrite; In water; dimethyl sulfoxide; at 0 - 20 ℃;

Reference yield: 34.0%

GENERIC INORGANIC CATION; 3-nitro-phenolate (61370-55-6) → meta-nitrophenol (554-84-7) + 2,4,6-triiodo-3-nitro-phenol (89465-92-9) + 2-iodo-5-nitrophenol (197243-46-2) + 2,6-diiodo-3-nitrophenol

Guidance literature:

With iodine; In dichloromethane; for 24h; Further byproducts given; Ambient temperature;

DOI:10.1071/c97051

Reference yield: 31.0%

2-iodo-5-nitroanisole (5458-84-4) → 2-iodo-5-nitrophenol (197243-46-2)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

upstream raw materials:

meta-nitrophenol

5-Nitro-2-aminophenol

GENERIC INORGANIC CATION; 3-nitro-phenolate

ammonia