2-Bromo-4,6-dinitroaniline

Base Information

• Chemical Name: 2-Bromo-4,6-dinitroaniline
• CAS No.: 1817-73-8
• Molecular Formula: C6H4BrN3O4
• Molecular Weight: 262.019
• Hs Code.: 2921420090
• European Community (EC) Number: 217-329-2
• NSC Number: 16572
• UNII: 105X73C593
• DSSTox Substance ID: DTXSID4024646
• Nikkaji Number: J38.265E
• Wikidata: Q27251119
• ChEMBL ID: CHEMBL167513
• Mol file: 1817-73-8.mol

Synonyms:2-bromo-4,6-dinitroaniline

Chemical Property of 2-Bromo-4,6-dinitroaniline

Chemical Property:

• Appearance/Colour: Yellow to yellow brown powder
• Vapor Pressure: 1.24E-06mmHg at 25°C
• Melting Point: 151-153 °C(lit.)
• Refractive Index: 1.707
• Boiling Point: 400.8 °C at 760 mmHg
• PKA: pK1: -6.94(+1) (25°C)
• Flash Point: 196.2 °C
• PSA: 117.66000
• Density: 1.991 g/cm³
• LogP: 3.47530
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 260.93852
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

99% min ^*data from raw suppliers

2-Bromo-4,6-dinitro-benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 36/37/38-11
• Safety Statements: 37/39-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitroanilines
• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-]
• Uses: 2-Bromo-4,6-dinitroaniline was used as a model chemical in the inter-laboratory evaluation of the bioluminescent Salmonella reverse mutation assay for detecting mutagenicity.

Technology Process of 2-Bromo-4,6-dinitroaniline

There total 30 articles about 2-Bromo-4,6-dinitroaniline 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:

→ 2-bromo-4,6-dinitroaniline (1817-73-8)

Guidance literature:

DOI:10.1039/j29710000040

Reference yield:

water (7732-18-5) + bromine (7726-95-6) + 2,4-Dinitroanilin (97-02-9) → 2-bromo-4,6-dinitroaniline (1817-73-8)

Guidance literature:

Reference yield:

bromine (7726-95-6) + acetic acid (64-19-7,77671-22-8) + 2,4-Dinitroanilin (97-02-9) → 2-bromo-4,6-dinitroaniline (1817-73-8)

Guidance literature:

upstream raw materials:

1-bromo-2-chloro-3,5-dinitrobenzene

1,2-dibromo-3,5-dinitrobenzene

N-methyl-2,4-dinitroaniline

2-bromo-4-nitroaniline

Downstream raw materials:

N-[2-(2-Bromo-4,6-dinitro-phenylazo)-5-dimethylamino-phenyl]-acetamide

N-[2-(2-Bromo-4,6-dinitro-phenylazo)-5-dimethylamino-phenyl]-benzamide

Disperse Blue 79

N-[2-(2-Bromo-4,6-dinitro-phenylazo)-5-diethylamino-phenyl]-benzamide

Refernces

• 1、 -. "Preparation method 6 -bromo -2-4 -dinitroaniline". Paragraph 0040-0065. . Retrieved 2021/11/19.
• 2、 -. "New bromination process for 2,4-dinitraniline". Paragraph 0027-0028; 0029-0030; 0031-0032; 0033-0034. . Retrieved 2019/02/04.