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

Base Information

• Chemical Name: 1,5-Dichloro-3-methyl-2-nitrobenzene
• CAS No.: 118665-00-2
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID00434881
• Wikidata: Q82249460
• Mol file: 118665-00-2.mol

Synonyms:1,5-Dichloro-3-methyl-2-nitrobenzene;118665-00-2;Benzene, 1,5-dichloro-3-methyl-2-nitro-;3,5-DICHLORO-2-NITROTOLUENE;1,5-Dichloro-3-methyl -2-nitro benzene;SCHEMBL12661870;DTXSID00434881;CL8826;MFCD11878022;AKOS015891006;AM83061;CS-W021290;DS-1385;MB10647;A893056

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

Chemical Property:

• Boiling Point: 287.6±35.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.456±0.06 g/cm3(Predicted)
• LogP: 3.73320
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

98%min ^*data from raw suppliers

1,5-Dichloro-3-methyl-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 1,5-Dichloro-3-methyl-2-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: 54.0%

2,4-dichloro-6-methylbenzenediazonium tetrafluoroborate → 3,5-dichlorotoluene (25186-47-4) + 2,4-dichloro-6-methylnitrobenzene (118665-00-2)

Guidance literature:

With copper; sodium nitrite; In diethyl ether; water; at 20 ℃; for 0.25h;

DOI:10.1021/jm00101a024

Reference yield: 32.0%

3,5-dichlorotoluene (25186-47-4) → 2,4-dichloro-6-methylnitrobenzene (118665-00-2)

Guidance literature:

With nitric acid; In 1,2-dichloro-ethane; at 40 - 45 ℃; for 2h;

Reference yield: 51.0%

2,4-dichloro-6-methylnitrobenzene (118665-00-2) → 3,5-dichloroantranilic acid (2789-92-6)

Guidance literature:

With selenium; lithium methanolate; nitrobenzene; In methanol; water; dimethyl sulfoxide; at 90 ℃; for 5h; Inert atmosphere;

DOI:10.1039/d0gc04407e

upstream raw materials:

3,5-dichlorotoluene

Downstream raw materials:

2-methyl-4,6-dichloroaniline

3,5-dichloro-2,4-dinitro-toluene

2-amino-5-imidazol-1-yl-3-methylaniline

3-Methyl-5-(4-methyl-imidazol-1-yl)-benzene-1,2-diamine

Refernces

• 1、 Guengoer, Timur,Fouquet, Andre,Teulon, Jean-Marie,Provost, Daniel,Cazes, Michele,et al.. "Cardiotonic Agents. Synthesis and Cardiovascular Properties of Novel 2-Arylbenzimidazoles and Azabenzimidazoles". . p. 4455 - 4463. Retrieved 2007/10/02.