Benzene, 1-[(4-bromophenyl)thio]-2,4-dinitro-

Base Information

• Chemical Name: Benzene, 1-[(4-bromophenyl)thio]-2,4-dinitro-
• CAS No.: 60775-10-2
• Molecular Formula: C12H7BrN2O4S
• Molecular Weight: 355.169
• DSSTox Substance ID: DTXSID30485543
• Wikidata: Q82324810

Synonyms:Benzene, 1-[(4-bromophenyl)thio]-2,4-dinitro-;60775-10-2;DTXSID30485543;AKOS008567365

Chemical Property of Benzene, 1-[(4-bromophenyl)thio]-2,4-dinitro-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 353.93099
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Technology Process of Benzene, 1-[(4-bromophenyl)thio]-2,4-dinitro-

There total 4 articles about Benzene, 1-[(4-bromophenyl)thio]-2,4-dinitro- 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:

1-chloro-2,4-dinitro-benzene (97-00-7) → (4-bromo-phenyl)-(2,4-dinitro-phenyl)-sulfide (60775-10-2)

Guidance literature:

With ethanol;

DOI:10.1021/ja01339a040

Reference yield:

bromobenzene (108-86-1,52753-63-6) + 2,4-dinitrobenzenesulfenyl chloride (528-76-7) → (4-bromo-phenyl)-(2,4-dinitro-phenyl)-sulfide (60775-10-2)

Guidance literature:

With aluminium trichloride; 1,2-dichloro-ethane;

DOI:10.1021/ja01164a057

Reference yield:

para-bromobenzenethiol (106-53-6) → (4-bromo-phenyl)-(2,4-dinitro-phenyl)-sulfide (60775-10-2)

Guidance literature:

With sodium hydroxide; Amberlite IRA-900 (chloride form); Yield given. Multistep reaction; 2.) actonitrile, 15 min;

upstream raw materials:

bromobenzene

2,4-dinitrobenzenesulfenyl chloride

para-bromobenzenethiol

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

(4-bromo-phenyl)-(2,4-dinitro-phenyl)-sulfone

para-bromobenzenethiol

(4-Bromphenyl)-(2,4-dinitrophenyl)-sulfoxid

potassium 2,4-dinitrophenolate

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