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

Base Information

• Chemical Name: 5-Bromo-1,2-dimethyl-3-nitrobenzene
• CAS No.: 18873-95-5
• Molecular Formula: C8H8 Br N O2
• Molecular Weight: 230.061
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID10495488
• Wikidata: Q72454989
• Mol file: 18873-95-5.mol

Synonyms:5-bromo-1,2-dimethyl-3-nitrobenzene;18873-95-5;5-Bromo-3-Nitro-Orthoxylene;5-Bromo-2,3-dimethylnitrobenzene;Benzene, 5-bromo-1,2-dimethyl-3-nitro-;MFCD08690122;SCHEMBL13280627;DTXSID10495488;HPXSPJGSFHLODM-UHFFFAOYSA-N;AKOS015834376;CS-W022296;GS-4177;methyl 5-bromo-2-methyl-3-nitrobenzene;5-bromanyl-1,2-dimethyl-3-nitro-benzene;SY022878;FT-0719463;A813261

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

Chemical Property:

• Melting Point: 65-67 °C
• Boiling Point: 294.2±35.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.533±0.06 g/cm3(Predicted)
• LogP: 3.49730
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-1,2-dimethyl-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)[N+](=O)[O-])Br

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

There total 3 articles about 5-Bromo-1,2-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: 28.0%

4-bromo-o-xylene (583-71-1) → 5-bromo-1,2-dimethyl-3-nitrobenzene (18873-95-5)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 1h;

DOI:10.1246/cl.2012.1566

Reference yield:

2,3-dimethylnitrobenzene (83-41-0) → 5-bromo-1,2-dimethyl-3-nitrobenzene (18873-95-5)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; at 0 - 20 ℃; for 3.16667h; Inert atmosphere;

DOI:10.1002/ejoc.201500332

Reference yield:

→ 5-bromo-1,2-dimethyl-3-nitrobenzene (18873-95-5)

Guidance literature:

4-Amino-6-nitro-o-xylol, 1) Diazotier., 2) CuBr;

DOI:10.1002/hlca.19680510717

upstream raw materials:

4-bromo-o-xylene

2,3-dimethylnitrobenzene

Downstream raw materials:

5-bromo-2.3-dimethylaniline

5-bromo-2,3-dimethylphenol

6-bromo-2-(4-decylphenyl)-4-methoxyisoindoline-1,3-dione

2-(4-decylphenyl)-4-methoxy-6-((trimethylsilyl)ethynyl)isoindoline-1,3-dione

Refernces

• 1、 Takeuchi, Makoto,Kurahashi, Takuya,Matsubara, Seijiro. "Nickel-catalyzed decarbonylative polymerization of 5-alkynylphthalimides: A new methodology for the preparation of polyheterocycles". supporting information. p. 1566 - 1568. Retrieved 2013/01/15.