4-Bromo-2,3-dimethyl-6-nitroaniline

Base Information

• Chemical Name: 4-Bromo-2,3-dimethyl-6-nitroaniline
• CAS No.: 108485-13-8
• Molecular Formula: C8H9 Br N2 O2
• Molecular Weight: 245.07
• Hs Code.: 29214990
• DSSTox Substance ID: DTXSID90379131
• Wikidata: Q69756843
• Mol file: 108485-13-8.mol

Synonyms:4-bromo-2,3-dimethyl-6-nitroaniline;108485-13-8;Benzenamine, 4-bromo-2,3-dimethyl-6-nitro-;DTXSID90379131;XRYVCCUUPIZPMI-UHFFFAOYSA-N;MFCD00051710;AKOS015912393;PS-4161;4-bromo-2,3-dimethyl-6-nitro-aniline;CS-0153579;FT-0617737;D84236;A801884;W-204669

Chemical Property of 4-Bromo-2,3-dimethyl-6-nitroaniline

Chemical Property:

• Vapor Pressure: 2.64E-05mmHg at 25°C
• Melting Point: 152 °C
• Boiling Point: 357.9°Cat760mmHg
• Flash Point: 170.3°C
• PSA: 71.84000
• Density: 1.609g/cm³
• LogP: 3.66070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 243.98474
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-2,3-dimethyl-6-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 20/21/22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-2,3-dimethyl-6-nitroaniline

There total 2 articles about 4-Bromo-2,3-dimethyl-6-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%

2,3-dimethyl-6-nitroaniline (59146-96-2) → 4-bromo-2,3-dimethyl-6-nitroaniline (108485-13-8)

Guidance literature:

With pyridinium hydrobromide perbromide; acetic acid; for 0.5h; Ambient temperature;

Reference yield:

→ 4-bromo-2,3-dimethyl-6-nitroaniline (108485-13-8)

Guidance literature:

4-Brom-2,3-dimethyl-6-nitro-acetanilid, aq.aethanol. HCl, Δ;

DOI:10.1111/j.2042-7158.1960.tb12705.x

Reference yield: 98.0%

4-bromo-2,3-dimethyl-6-nitroaniline (108485-13-8) → 4-bromo-2,3-dimethyl-6-nitrophenylazide (547755-90-8)

Guidance literature:

4-bromo-2,3-dimethyl-6-nitroaniline; With sulfuric acid; water; at 0 - 5 ℃;

With sodium nitrite; at 0 - 5 ℃;

With sodium azide; at 20 ℃; for 0.5h;

DOI:10.3987/COM-02-9661

upstream raw materials:

2,3-dimethyl-6-nitroaniline

Downstream raw materials:

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

4-bromo-2,3-dimethyl-6-nitrophenylazide

7-(2,6-dimethyl-phenyl)-5,6-dimethyl-benzo[1,2,4]triazin-3-ylamine

5,6,N⁴-Trimethyl-3-nitro-benzene-1,2,4-triamine

Refernces

• 1、 JACKMAN,PETROW,STEPHENSON. "Some 2, 3-disubstituted 3H-4-quinazolones and 3H-4-thioquinazolones.". . p. 529 - 538. Retrieved 2007/10/04.