1,3-Dichloro-2-iodo-5-nitrobenzene

Base Information

• Chemical Name: 1,3-Dichloro-2-iodo-5-nitrobenzene
• CAS No.: 62778-19-2
• Molecular Formula: C6H2 Cl2 I N O2
• Molecular Weight: 317.898
• Hs Code.: 2904909090
• European Community (EC) Number: 679-748-0
• DSSTox Substance ID: DTXSID60886509
• Nikkaji Number: J150.817B
• Wikidata: Q82865357
• Mol file: 62778-19-2.mol

Synonyms:1,3-Dichloro-2-iodo-5-nitrobenzene;62778-19-2;3,5-Dichloro-4-iodonitrobenzene;Benzene, 1,3-dichloro-2-iodo-5-nitro-;C6H2Cl2INO2;SCHEMBL1517106;C6-H2-Cl2-I-N-O2;DTXSID60886509;4-iodo-3,5-dichloro-nitrobenzene;MFCD00059181;AKOS009158558;FS-5454;1,3-Dichloro-2-iodo-5-nitrobenzene #;AC-26085;CS-0113014;D1447;FT-0722384;A20838;EN300-832834;T71147;Dichloroiodonitrobenzene;3,5-Dichloro-4-iodo-1-nitrobenzene

Chemical Property of 1,3-Dichloro-2-iodo-5-nitrobenzene

Chemical Property:

• Melting Point: 153 °C
• Boiling Point: 335.5±42.0 °C(Predicted)
• Flash Point: 156.7oC
• PSA: 45.82000
• Density: 2.158±0.06 g/cm3(Predicted)
• LogP: 4.02940
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 316.85073
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dichloro-2-iodo-5-nitrobenzene >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)I)Cl)[N+](=O)[O-]

Technology Process of 1,3-Dichloro-2-iodo-5-nitrobenzene

There total 4 articles about 1,3-Dichloro-2-iodo-5-nitrobenzene 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: 86.0%

4-nitro-2,6-dichloroaniline (99-30-9) → 1,3-dichloro-2-iodo-5-nitrobenzene (62778-19-2)

Guidance literature:

With potassium iodide; urea; sodium nitrite; In sulfuric acid; water; acetic acid;

Reference yield: 65.0%

C10H12Cl2N4O2 (401631-95-6) → 3,5-dichloro-1-nitrobenzene (618-62-2) + 1,3-dichloro-2-iodo-5-nitrobenzene (62778-19-2)

Guidance literature:

With hydrogen iodide; In acetonitrile; at 60 ℃; for 13h;

DOI:10.1055/s-2001-18072

Reference yield: 33.0%

4-nitro-2,6-dichloroaniline (99-30-9) + potassium iodide (7681-11-0) → 1,3-dichloro-2-iodo-5-nitrobenzene (62778-19-2)

Guidance literature:

4-nitro-2,6-dichloroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

potassium iodide; In water;

upstream raw materials:

4-nitro-2,6-dichloroaniline

C₁₀H₁₂Cl₂N₄O₂

potassium iodide

Downstream raw materials:

1,3-dichloro-2-iodobenzene

1,3-dichloro-2-(4-methoxyphenoxy)-5-nitrobenzene

3,5-dichloro-4-(4-methoxyphenoxy)aniline

3,5-dichloro-4-(4-methoxy-phenoxy)-benzaldehyde