2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione
• CAS No.: 5375-50-8
• Molecular Formula: C₁₂H₈N₆O₈
• Molecular Weight: 364.231
• DSSTox Substance ID: DTXSID40968514
• Wikidata: Q82951321
• ChEMBL ID: CHEMBL1724527
• Mol file: 5375-50-8.mol

Synonyms:SMR000103346;MLS000106379;2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione;5375-50-8;CBMicro_019619;2-(3-chloro-2-methylphenyl)isoindole-1,3-dione;Oprea1_059217;Oprea1_112904;cid_780576;CHEMBL1724527;SCHEMBL13665449;BDBM89776;DTXSID40968514;HMS2450L06;CCG-7666;STK054018;AKOS000487905;BIM-0019562.P001;SR-01000207430;SR-01000207430-1;2-(3-chloranyl-2-methyl-phenyl)isoindole-1,3-dione;2-(3-chloro-2-methyl-phenyl)isoindoline-1,3-quinone;2-(3-CHLORO-2-METHYLPHENYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

Chemical Property of 2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 5.72E-08mmHg at 25°C
• Boiling Point: 440.8°Cat760mmHg
• Flash Point: 220.4°C
• Density: 1.393g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 271.0400063
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3C2=O

Technology Process of 2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione

There total 5 articles about 2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione 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:

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → N,N'-bis-(2,4-dinitro-phenyl)-hydrazine (5375-50-8)

Guidance literature:

With calcium carbonate; In butan-1-ol;

DOI:10.1016/0040-4020(66)80074-1

Reference yield:

bis-(2,4-dinitro-phenyl)-diazene (5267-25-4) → N,N'-bis-(2,4-dinitro-phenyl)-hydrazine (5375-50-8)

Guidance literature:

With hydrogen sulfide; water;

Reference yield:

2,2'-dinitroazobenzene (4171-33-9) → N,N'-bis-(2,4-dinitro-phenyl)-hydrazine (5375-50-8)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid; nitric acid / 25 °C

2: hydrogen sulfide; water

With sulfuric acid; hydrogen sulfide; water; nitric acid;

upstream raw materials:

bis-(2,4-dinitro-phenyl)-diazene

2,4-Dinitrofluorobenzene

(2,4-dinitro-phenyl)-hydrazine

hydrogen sulfide