2-Iodo-4-methyl-1-nitrobenzene

Base Information

• Chemical Name: 2-Iodo-4-methyl-1-nitrobenzene
• CAS No.: 52488-29-6
• Molecular Formula: C7H6 I N O2
• Molecular Weight: 263.035
• Hs Code.: 2904909090
• European Community (EC) Number: 627-576-1
• DSSTox Substance ID: DTXSID10369918
• Nikkaji Number: J1.842.649H
• Wikidata: Q82157201
• Mol file: 52488-29-6.mol

Synonyms:2-iodo-4-methyl-1-nitrobenzene;3-Iodo-4-nitrotoluene;52488-29-6;SCHEMBL8054600;3-Iodo-4-nitrotoluene, 97%;1-Nitro-2-iodo-4-methylbenzene;DTXSID10369918;MFCD01320681;AKOS016007698;BS-42246;CS-0143899;FT-0640073;A19672;EN300-105359

Chemical Property of 2-Iodo-4-methyl-1-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00115mmHg at 25°C
• Melting Point: 18-20 °C
• Refractive Index: n20/D 1.637
• Boiling Point: 295 °C
• Flash Point: 141.1°C
• PSA: 45.82000
• Density: 1.883g/cm³
• LogP: 3.03100
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 262.94433
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-4-nitrotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])I

Technology Process of 2-Iodo-4-methyl-1-nitrobenzene

There total 5 articles about 2-Iodo-4-methyl-1-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: 80.0%

1-methyl-4-nitrobenzene (99-99-0) → 2-iodo-4-methyl-1-nitrobenzene (52488-29-6)

Guidance literature:

With methyltriphenylphosphonium peroxydisulfate; iodine; In acetonitrile; for 12h; Heating;

DOI:10.1080/00304940509354960

Reference yield: 54.0%

5-methyl-2-nitrobenzoic acid (3113-72-2) → 2-iodo-4-methyl-1-nitrobenzene (52488-29-6)

Guidance literature:

With copper(l) iodide; oxygen; In dimethyl sulfoxide; at 160 ℃; for 30h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.5b02873

Reference yield:

5-methyl-2-nitroaniline (578-46-1) → 2-iodo-4-methyl-1-nitrobenzene (52488-29-6)

Guidance literature:

Diazotization_.folgend Behandeln mit waessr. Kaliumjodid-Loesung;

upstream raw materials:

5-methyl-2-nitroaniline

1-methyl-4-nitrobenzene

3,4-Dinitrotoluene

5-methyl-2-nitrobenzoic acid

Downstream raw materials:

3-(5-methyl-2-nitrophenyl)-1H-indole

C₁₀H₁₁NO₂

4-methyl-1-nitro-2-(phenylethynyl)benzene

6-methyl-2-phenyl-1,3-benzothiazole