1-Bromo-2-methyl-3,4-dinitrobenzene

Base Information

• Chemical Name: 1-Bromo-2-methyl-3,4-dinitrobenzene
• CAS No.: 290353-57-0
• Molecular Formula: C7H5BrN2O4
• Molecular Weight: 261.032
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID30579153
• Nikkaji Number: J1.337.806A
• Wikidata: Q82469578
• Mol file: 290353-57-0.mol

Synonyms:1-bromo-2-methyl-3,4-dinitrobenzene;290353-57-0;MFCD18642363;Benzene, 1-bromo-2-methyl-3,4-dinitro-;1-Bromo-2-methyl-3,4-dinitro-benzene;SCHEMBL1072302;DTXSID30579153;OXYXHHOXCIPFBY-UHFFFAOYSA-N;AC1301;AKOS016000341;AB91668;DS-1312;SY038024;A919052

Chemical Property of 1-Bromo-2-methyl-3,4-dinitrobenzene

Chemical Property:

• PSA: 91.64000
• LogP: 3.62030
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 259.94327
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-2-methyl-3,4-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-2-methyl-3,4-dinitrobenzene

There total 1 articles about 1-Bromo-2-methyl-3,4-dinitrobenzene 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: 86.0%

2-bromo-6-nitrotoluene (55289-35-5) → 1-bromo-2-methyl-3,4-dinitrobenzene (290353-57-0)

Guidance literature:

With sulfuric acid; uronium nitrate; at 0 - 20 ℃;

DOI:10.1016/S0040-4039(00)00587-6

Reference yield: 91.0%

1-bromo-2-methyl-3,4-dinitrobenzene (290353-57-0) → 4-bromo-3-methyl-1,2-benzenediamine (952511-74-9)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; ethyl acetate; at 80 ℃; for 12h;

Reference yield: 73.0%

orthoformic acid triethyl ester (122-51-0) + 1-bromo-2-methyl-3,4-dinitrobenzene (290353-57-0) → 5-bromo-4-methyl-1H-benzo[d]imidazole (952511-48-7)

Guidance literature:

1-bromo-2-methyl-3,4-dinitrobenzene; With ethanol; tin(ll) chloride; at 50 ℃; for 2h;

orthoformic acid triethyl ester; at 20 - 70 ℃; for 0.5h;

upstream raw materials:

2-bromo-6-nitrotoluene

Downstream raw materials:

5-bromo-4-methyl-1H-benzo[d]imidazole

4-bromo-3-methyl-1,2-benzenediamine

6-bromo-2,3-dinitrobenzoic acid

4-methyl-1H-benzo[d]imidazole-5-carbonitrile