3-Bromo-2,4,6-trimethylnitrobenzene

Base Information

• Chemical Name: 3-Bromo-2,4,6-trimethylnitrobenzene
• CAS No.: 90561-85-6
• Molecular Formula: C9H10 Br N O2
• Molecular Weight: 244.088
• Hs Code.: 2904909090
• European Community (EC) Number: 635-871-1
• DSSTox Substance ID: DTXSID20373768
• Wikidata: Q82162098
• Mol file: 90561-85-6.mol

Synonyms:3-Bromo-2,4,6-trimethylnitrobenzene;90561-85-6;2-bromo-1,3,5-trimethyl-4-nitrobenzene;2-bromo-4-nitro-1,3,5-trimethylbenzene;4-Bromo-2-nitromesitylene;MFCD00015924;1-Bromo-3-nitro-2,4,6-trimethylbenzene;SCHEMBL3981776;DTXSID20373768;IUFDRRDWXUSFBG-UHFFFAOYSA-N;4-Bromo-2-nitromesitylene, 97%;BBL100676;STL554470;4,4-Diaminostiben-2,2-disulfonicacid;AKOS005255026;MS-20058;CS-0321902;FT-0611467;A843583

Chemical Property of 3-Bromo-2,4,6-trimethylnitrobenzene

Chemical Property:

• Vapor Pressure: 0.00161mmHg at 25°C
• Melting Point: 59-64 °C(lit.)
• Refractive Index: 1.575
• Boiling Point: 106-107 °C1.3 mm Hg(lit.)
• Flash Point: 137.7°C
• PSA: 45.82000
• Density: 1.467g/cm³
• LogP: 3.80570
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-2-nitromesitylene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-2,4,6-trimethylnitrobenzene

There total 2 articles about 3-Bromo-2,4,6-trimethylnitrobenzene 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: 96.0%

→ 2-bromo-1,3.5-trimethyl-4-nitrobenzene (90561-85-6)

Guidance literature:

With 2-nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide; at 55 - 60 ℃; for 3h; Inert atmosphere; Sealed tube;

Reference yield:

2,4,6-trimethylphenyl bromide (576-83-0) → 2-bromo-1,3.5-trimethyl-4-nitrobenzene (90561-85-6)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/jo01096a025

Reference yield: 54.0%

2-bromo-1,3.5-trimethyl-4-nitrobenzene (90561-85-6) → 2,4,6-trimethyl-3-nitroanisole (34874-87-8)

Guidance literature:

With pyridine; sodium methylate; copper(I) chloride; In methanol;

upstream raw materials:

2,4,6-trimethylphenyl bromide

Downstream raw materials:

phenyl-(2,4,6-trimethyl-3-nitro-phenyl)-ether

2,4,6-trimethyl-3-nitroanisole

Refernces