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

Base Information

• Chemical Name: 1,2-Dichloro-5-methyl-3-nitrobenzene
• CAS No.: 13711-25-6
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID60599041
• Nikkaji Number: J81.668J
• Wikidata: Q82494881
• Mol file: 13711-25-6.mol

Synonyms:1,2-dichloro-5-methyl-3-nitrobenzene;13711-25-6;Benzene, 1,2-dichloro-5-methyl-3-nitro-;SCHEMBL8311171;DTXSID60599041;AKOS025132022

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

Chemical Property:

• PSA: 45.82000
• LogP: 3.73320
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99.90% ^*data from raw suppliers

1,2-Dichloro-5-methyl-3-nitro-benzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 6 articles about 1,2-Dichloro-5-methyl-3-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-chloro-4-methyl-6-nitroaniline (5465-33-8) → 1,2-dichloro-5-methyl-3-nitrobenzene (13711-25-6)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) CuCl, aq. HCl;

Reference yield:

2-chloro-4-methyl-benzenamine (615-65-6) → 1,2-dichloro-5-methyl-3-nitrobenzene (13711-25-6)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid; acetic anhydride / 1.17 h / 5 - 15 °C

2: tert.-butylnitrite; copper dichloride / acetonitrile / 1.5 h / 65 °C

With tert.-butylnitrite; nitric acid; acetic anhydride; copper dichloride; In acetonitrile; 2: Sandmeyer reaction;

DOI:10.1016/j.bmc.2009.07.021

Reference yield:

→ 1,2-dichloro-5-methyl-3-nitrobenzene (13711-25-6)

Guidance literature:

With copper(l) chloride;

upstream raw materials:

2-chloro-4-methyl-6-nitroaniline

5,6-Dichlor-4-nitro-2-methyl-anilin

N-(5-chloro-2-methyl-4-nitrophenyl)acetamide

4-methyl-2-nitroaniline

Downstream raw materials:

2,3-dichloro-5-methylphenylamine

C₇H₃Br₂Cl₂I

5-(bromomethyl)-1,2-dichloro-3-iodobenzene

diethyl 2-acetamido-2-(3,4-dichloro-5-iodobenzyl)malonate