2-Iodo-1,3-dimethyl-4-nitrobenzene

Base Information

• Chemical Name: 2-Iodo-1,3-dimethyl-4-nitrobenzene
• CAS No.: 4102-46-9
• Molecular Formula: C8H8INO2
• Molecular Weight: 277.062
• Hs Code.: 2902900000
• European Community (EC) Number: 800-826-9
• Mol file: 4102-46-9.mol

Synonyms:2-iodo-1,3-dimethyl-4-nitrobenzene;4102-46-9;MFCD02066252;SCHEMBL16970671;WBYYSBBIRPABFU-UHFFFAOYSA-N;AC9811;2-iodo-1,3-dimethyl-4-nitro-benzene;AKOS009474466;DH-0728;SY262585;CS-0452258

Chemical Property of 2-Iodo-1,3-dimethyl-4-nitrobenzene

Chemical Property:

• PSA: 45.82000
• LogP: 3.33940
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-1,3-dimethyl-4-nitrobenzene >97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-1,3-dimethyl-4-nitrobenzene

There total 2 articles about 2-Iodo-1,3-dimethyl-4-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:

2,6-dimethylaniline (87-62-7) → 2-iodo-1,3-dimethyl-4-nitrobenzene (4102-46-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HNO₃, H₂SO₄

2: (i) NaNO₂, H₂SO₄, (ii) aq. KI

With sulfuric acid; nitric acid;

DOI:10.1246/bcsj.38.1590

Reference yield:

2,6-dimethyl-3-nitroaniline (67083-28-7) → 2-iodo-1,3-dimethyl-4-nitrobenzene (4102-46-9)

Guidance literature:

Multistep reaction; (i) NaNO₂, H₂SO₄, (ii) aq. KI;

DOI:10.1246/bcsj.38.1590

Reference yield:

2-iodo-1,3-dimethyl-4-nitrobenzene (4102-46-9) → 3-iodo-2,4-dimethylaniline (4102-51-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

DOI:10.1246/bcsj.38.1590

upstream raw materials:

2,6-dimethyl-3-nitroaniline

2,6-dimethylaniline

Downstream raw materials:

3-iodo-2,4-dimethylaniline

2,4-Diiod-m-xylol

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