1-Chloro-2,5-dimethyl-3-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-2,5-dimethyl-3-nitrobenzene
• CAS No.: 13711-22-3
• Molecular Formula: C8H8 Cl N O2
• Molecular Weight: 185.61
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID50597814
• Wikidata: Q82493459
• Mol file: 13711-22-3.mol

Synonyms:1-Chloro-2,5-dimethyl-3-nitrobenzene;13711-22-3;6-Chloro-1,4-dimethyl-2-nitrobenzene;3-chloro-2,5-dimethyl-1-nitrobenzene;Benzene, 1-chloro-2,5-dimethyl-3-nitro-;SCHEMBL2957983;AMY7225;DTXSID50597814;ICVFACWRHDRTIM-UHFFFAOYSA-N;AKOS006285469;DS-16253;DB-359344;D84273;A886555

Chemical Property of 1-Chloro-2,5-dimethyl-3-nitrobenzene

Chemical Property:

• Melting Point: 36 °C
• Boiling Point: 133-134 °C(Press: 15 Torr)
• PSA: 45.82000
• Density: 1.273±0.06 g/cm3(Predicted)
• LogP: 3.38820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

6-Chloro-1,4-dimethyl-2-nitrobenzene ^*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)C)[N+](=O)[O-]

Technology Process of 1-Chloro-2,5-dimethyl-3-nitrobenzene

There total 5 articles about 1-Chloro-2,5-dimethyl-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-1,4-dimethyl-benzene (95-72-7) → 3-chloro-2,5-dimethyl-1-nitrobenzene (13711-22-3)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

2,5-dimethyl-3-nitroaniline (62564-50-5) → 3-chloro-2,5-dimethyl-1-nitrobenzene (13711-22-3)

Guidance literature:

With hydrogenchloride; Diazotization_.Behandlung der Diazoniumsalz-Loesung mit CuCl;

Reference yield:

6-Chlor-4-nitro-2,5-dimethyl-anilin (13852-55-6) → 3-chloro-2,5-dimethyl-1-nitrobenzene (13711-22-3)

Guidance literature:

Multistep reaction; (i) (diazotization), (ii) copper-bronze, (heating);

DOI:10.1039/j39670000400

upstream raw materials:

2-chloro-1,4-dimethyl-benzene

2,5-dimethyl-3-nitroaniline

6-Chlor-4-nitro-2,5-dimethyl-anilin

sulfuric acid

Downstream raw materials:

3-chloro-4-(4-chloro-1-naphthoxy)-2,5-dimethyl-1-nitrobenzene

1-chloro-2,5-dimethyl-3,4-dinitro-benzene

3-chloro-2,5-dimethylaniline

Refernces

• 1、 -. "BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION". . . Retrieved 2008/06/13.