4-Bromo-2-methyl-5-nitroaniline

Base Information

• Chemical Name: 4-Bromo-2-methyl-5-nitroaniline
• CAS No.: 71785-48-3
• Molecular Formula: C7H7BrN2O2
• Molecular Weight: 231.049
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID80565107
• Nikkaji Number: J3.365.238K
• Wikidata: Q82450048
• Mol file: 71785-48-3.mol

Synonyms:4-Bromo-2-methyl-5-nitroaniline;71785-48-3;MFCD03942039;SCHEMBL616063;DTXSID80565107;VNSOWZDCHBKTGR-UHFFFAOYSA-N;WCA78548;4-BroMo-2-Methyl-5-nitrophenylaMine;AKOS016844691;FS-5075;SY083141;CS-0039013;J-514674

Chemical Property of 4-Bromo-2-methyl-5-nitroaniline

Chemical Property:

• Melting Point: 118 °C(Solv: ethanol (64-17-5))
• Boiling Point: 325.6±37.0 °C(Predicted)
• PKA: 1.74±0.10(Predicted)
• PSA: 71.84000
• Density: 1.698±0.06 g/cm3(Predicted)
• LogP: 3.35230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 229.96909
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2-Methyl-5-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)[N+](=O)[O-])Br

Technology Process of 4-Bromo-2-methyl-5-nitroaniline

There total 4 articles about 4-Bromo-2-methyl-5-nitroaniline 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: 95.0%

4-bromo-2-methylaniline hydrochloride (13194-70-2) → 4-bromo-2-methyl-5-nitroaniline (71785-48-3)

Guidance literature:

With sulfuric acid; potassium nitrate; at 20 ℃;

DOI:10.1016/j.bmc.2007.01.010

Reference yield: 88.0%

4-Bromo-2-methylaniline (583-75-5) → 4-bromo-2-methyl-5-nitroaniline (71785-48-3)

Guidance literature:

With sulfuric acid; uronium nitrate; at 0 - 10 ℃; for 0.5h;

DOI:10.1002/ejoc.200801032

Reference yield: 48.0%

5-bromo-2,4-dinitro-toluene (5411-53-0,136833-29-9) → 4-bromo-2-methyl-5-nitroaniline (71785-48-3) + 2-bromo-4-methyl-5-nitroaniline (102169-99-3)

Guidance literature:

With titanium(III); trimethylphenylammonium hydroxide; In ethanol; at 60 - 70 ℃; pH 6.5;

upstream raw materials:

4-Bromo-2-methylaniline

5-bromo-2,4-dinitro-toluene

4-bromo-2-methylaniline hydrochloride

Downstream raw materials:

5-bromo-6-nitro-1H-indazole

4-methylbenzene-1,3-diamine

2,4-diamino-5-bromotoluene

tert-butyl 5-bromo-3-chloro-6-nitro-1H-indazole-1-carboxylate