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

Base Information

• Chemical Name: 5-Bromo-2-methyl-1,3-dinitrobenzene
• CAS No.: 95192-64-6
• Molecular Formula: C7H5 Br N2 O4
• Molecular Weight: 261.032
• Hs Code.: 2904909090
• European Community (EC) Number: 641-245-9
• DSSTox Substance ID: DTXSID40541003
• Wikidata: Q72455117
• Mol file: 95192-64-6.mol

Synonyms:5-Bromo-2-methyl-1,3-dinitrobenzene;95192-64-6;4-BROMO-2,6-DINITROTOLUENE;MFCD07357280;5-bromo-2-methyl-1,3-dinitro-benzene;Benzene, 5-bromo-2-methyl-1,3-dinitro-;SCHEMBL5201165;DTXSID40541003;UOGCLPDKGPPDHM-UHFFFAOYSA-N;VDA19264;4-Bromo-2 pound not6-dinitrotoluene;AKOS005254749;SB40573;5-bromo-2-methyl-1,3-dinitro- benzene;AC-23467;AM804598;AS-31139;SY013102;CS-0038938;A845230

Chemical Property of 5-Bromo-2-methyl-1,3-dinitrobenzene

Chemical Property:

• Vapor Pressure: 0.000871mmHg at 25°C
• Melting Point: 86-88掳C
• Refractive Index: 1.63
• Boiling Point: 314.2°Cat760mmHg
• Flash Point: 143.8°C
• PSA: 91.64000
• Density: 1.793g/cm³
• LogP: 3.62030
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 259.94327
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

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

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-2-methyl-1,3-dinitrobenzene

There total 13 articles about 5-Bromo-2-methyl-1,3-dinitrobenzene 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: 100.0%

2,6-dinitrotoluene (606-20-2) → 5-bromo-2-methyl-1,3-dinitrobenzene (95192-64-6)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sulfuric acid; at 20 ℃; for 1h;

DOI:10.1021/ol503348n

Reference yield: 52.0%

3,5-dinitro-p-toluic acid (16533-71-4) → 5-bromo-2-methyl-1,3-dinitrobenzene (95192-64-6)

Guidance literature:

With bromine; mercury(II) oxide; In tetrachloromethane; at 65 ℃; for 2.5h; Irradiation;

DOI:10.1016/S0223-5234(00)01209-5

Reference yield:

concentrated sulfuric acid-water + 2,6-dinitrotoluene (606-20-2) → 5-bromo-2-methyl-1,3-dinitrobenzene (95192-64-6)

Guidance literature:

With potassium bromate;

upstream raw materials:

4-bromo-2-nitrotoluene

4-Amino-2,6-dinitrotoluene

6-bromo-3-methyl-2,4-dinitro-aniline

3,5-dinitro-p-toluic acid

Downstream raw materials:

3,5-dinitro-p-toluic acid

4-bromo-2,6-dinitrobenzoic acid

(E)-[2-(4-bromo-2,6-dinitro-phenyl)-vinyl]-dimethyl-amine

6-bromo-1H-indol-4-ylamine

Refernces

• 1、 Yang, Lingling,Chen, Yang,He, Junlin,Njoya, Emmanuel Mfotie,Chen, Jianjun,Liu, Siyan,Xie, Congqiang,Huang, Wenze,Wang, Fei,Wang, Zhouyu,Li, Yuzhi,Qian, Shan. "4,6-Substituted-1H-Indazoles as potent IDO1/TDO dual inhibitors". . p. 1087 - 1098. Retrieved 2019/02/19.
• 2、 -. "Indazole compounds and application thereof to preparation of IDO inhibitors". Paragraph 0056; 0059; 0060. . Retrieved 2018/11/04.