1-Bromo-2,4-dimethyl-3-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-2,4-dimethyl-3-nitrobenzene
• CAS No.: 39053-43-5
• Molecular Formula: C₈H₈BrNO₂
• Molecular Weight: 230.061
• Hs Code.: 2904990090
• DSSTox Substance ID: DTXSID001292212
• Mol file: 39053-43-5.mol

Synonyms:1-bromo-2,4-dimethyl-3-nitrobenzene;39053-43-5;1-Bromo-2,4-dimethyl-3-nitro-benzene;SCHEMBL1199723;TQP0832;LHRGPLOPZIPERM-UHFFFAOYSA-N;DTXSID001292212;MFCD00092653;AKOS004908150;SB36984;CS-0139916;E87509

Chemical Property of 1-Bromo-2,4-dimethyl-3-nitrobenzene

Chemical Property:

• Storage Temp.: 2-8°C
• 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

1-Bromo-2,4-dimethyl-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Bromo-2,4-dimethyl-3-nitrobenzene

There total 3 articles about 1-Bromo-2,4-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: 99.0%

2,6-dimethylnitrobenzene (81-20-9) → 1-bromo-2,4-dimethyl-3-nitro-benzene (39053-43-5)

Guidance literature:

With ferric(III) bromide; bromine; iron; In dichloromethane; for 0.5h;

Reference yield:

→ 1-bromo-2,4-dimethyl-3-nitro-benzene (39053-43-5)

Guidance literature:

With bromine; at 100 ℃; im geschlossenen Rohr;

Reference yield:

(2,4-dimethyl-3-nitro-phenyl)amine (31167-04-1) → 1-bromo-2,4-dimethyl-3-nitro-benzene (39053-43-5)

Guidance literature:

Diazotization_.Zers_. der Diazoverbindung mit Cuprobromid;

upstream raw materials:

(2,4-dimethyl-3-nitro-phenyl)amine

2,6-dimethylnitrobenzene

Downstream raw materials:

4-(2,4-dimethyl-3-nitrophenyl)morpholine

3-bromo-2,6-dimethyl-aniline

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