2-Bromo-4-methyl-6-nitroaniline

Base Information

• Chemical Name: 2-Bromo-4-methyl-6-nitroaniline
• CAS No.: 827-24-7
• Molecular Formula: C7H7BrN2O2
• Molecular Weight: 231.049
• Hs Code.: 2921430090
• European Community (EC) Number: 687-917-5
• DSSTox Substance ID: DTXSID70379513
• Nikkaji Number: J257.642B
• Wikidata: Q72447456
• Mol file: 827-24-7.mol

Synonyms:2-Bromo-4-methyl-6-nitroaniline;827-24-7;2-Bromo-4-methyl-6-nitro-phenylamine;2-Bromo-4-methyl-6-nitrobenzenamine;MFCD00209452;2-Bromo-6-nitro-p-toluidine;4-Amino-3-bromo-5-nitrotoluene;SCHEMBL2970574;DTXSID70379513;VFPKZASVVCBVMG-UHFFFAOYSA-N;AKOS005071110;AB04784;AM83136;CS-W021615;BP-10167;SY024384;FT-0633002;A23122;EN300-134618;Benzene, 1-fluoro-4-[(4-methylphenyl)methyl]-;7Z-0817;J-508310

Chemical Property of 2-Bromo-4-methyl-6-nitroaniline

Chemical Property:

• Vapor Pressure: 0.000181mmHg at 25°C
• Melting Point: 64-66 °C
• Refractive Index: 1.648
• Boiling Point: 329.1 °C at 760 mmHg
• PKA: -1.74±0.25(Predicted)
• Flash Point: 152.8 °C
• PSA: 71.84000
• Density: 1.698 g/cm³
• LogP: 3.35230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• 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%min ^*data from raw suppliers

2-Bromo-4-methyl-6-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-methyl-6-nitroaniline

There total 7 articles about 2-Bromo-4-methyl-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: 98.0%

4-methyl-2-nitroaniline (89-62-3) → 2-bromo-4-methyl-6-nitroaniline (827-24-7)

Guidance literature:

With bromine; acetic acid; for 0.5h;

DOI:10.1021/ol061244c

Reference yield:

2-bromo-4-methylacetanilide (614-83-5) → 2-bromo-4-methyl-6-nitroaniline (827-24-7)

Guidance literature:

With nitric acid; Destillieren des entstandenen Acetylderivates mit Natronlauge;

Reference yield:

acetic acid-(2-bromo-4-methyl-6-nitro-anilide) (70733-24-3) → 2-bromo-4-methyl-6-nitroaniline (827-24-7)

Guidance literature:

With sulfuric acid;

upstream raw materials:

2-bromo-4-methylacetanilide

acetic acid-(2-bromo-4-methyl-6-nitro-anilide)

2-bromo-4-methyl-N-nitro-aniline

acetic acid

Downstream raw materials:

1-bromo-3-methyl-5-nitrobenzene

2,3-dibromo-5-methylnitrobenzene

1-bromo-2-iodo-5-methyl-3-nitrobenzene

3-Bromo-5-methyl-1,2-diaminobenzene

Refernces

• 1、 -. "Benzotriazine compound with PAR4 antagonistic activity and application thereof". Paragraph 0059; 0061; 0066. . Retrieved 2020/08/02.
• 2、 Szymańska, Ewa,Cha?upnik, Paulina,Szczepańska, Katarzyna,Cu?ado Moral, Ana Maria,Pickering, Darryl S.,Nielsen, Birgitte,Johansen, Tommy N.,Kie?-Kononowicz, Katarzyna. "Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands". supporting information. p. 5568 - 5572. Retrieved 2016/11/09.