Sulfide, bis(2,4-dinitrophenyl)

Base Information

• Chemical Name: Sulfide, bis(2,4-dinitrophenyl)
• CAS No.: 2253-67-0
• Molecular Formula: C12H6 N4 O8 S
• Molecular Weight: 366.268
• Hs Code.: 2930909090
• European Community (EC) Number: 620-953-1
• NSC Number: 633009,44806
• DSSTox Substance ID: DTXSID00177044
• Nikkaji Number: J3.113.408K
• Wikidata: Q83047365
• ChEMBL ID: CHEMBL204688
• Mol file: 2253-67-0.mol

Synonyms:Sulfide, bis(2,4-dinitrophenyl);2253-67-0;bis(2,4-dinitrophenyl)sulfane;2,4-dinitrophenyl sulfide;Benzene, 1,1'-thiobis[2,4-dinitro-;CHEMBL204688;NSC633009;Benzene, 1,1'-thiobis(2,4-dinitro-;BRN 2067338;AI3-16371;1-(2,4-dinitrophenyl)sulfanyl-2,4-dinitro-benzene;1-(2,4-dinitrophenyl)sulfanyl-2,4-dinitrobenzene;NSC44806;D09GTJ;1-[(2,4-Dinitrophenyl)sulfanyl]-2,4-dinitrobenzene;SCHEMBL1032814;DTXSID00177044;1,1'-Thiobis(2,4-dinitrobenzene);BDBM50182122;NSC 44806;NSC-44806;AKOS003235570;NSC-633009;LS-147895;4-06-00-01748 (Beilstein Handbook Reference)

Chemical Property of Sulfide, bis(2,4-dinitrophenyl)

Chemical Property:

• Boiling Point: 530.2°Cat760mmHg
• Flash Point: 274.5°C
• PSA: 233.88000
• Density: 1.74g/cm³
• LogP: 6.21160
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 365.99063434
• Heavy Atom Count: 25
• Complexity: 505

Purity/Quality:

99% ^*data from raw suppliers

2,4-DINITROPHENYL SULFIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Sulfide, bis(2,4-dinitrophenyl)

There total 49 articles about Sulfide, bis(2,4-dinitrophenyl) 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: 90.0%

1-iodo-2,4-dinitrobenzene (709-49-9) + sodium thiocyanide (540-72-7) → 2,4-dinitro-phenyl thiocyanate (1594-56-5) + bis-(2,4-dinitro-phenyl)-sulfide (2253-67-0)

Guidance literature:

(C₁₆H₃₃)Bu₃P⁽¹⁺⁾*SCN^(1-); In water; chlorobenzene; at 25 ℃;

DOI:10.1039/P29830000461

Reference yield: 90.0%

2,4-dinitrobromobenzene (584-48-5) + sodium thiocyanide (540-72-7) → 2,4-dinitro-phenyl thiocyanate (1594-56-5) + bis-(2,4-dinitro-phenyl)-sulfide (2253-67-0)

Guidance literature:

With sodium azide; hexadecyltributylphosphonium thiocyanate; In water; chlorobenzene; at 25 ℃; Rate constant; various temp.;

DOI:10.1039/P29830000461

Reference yield: 90.0%

1-iodo-2,4-dinitrobenzene (709-49-9) + sodium thiocyanide (540-72-7) → 2,4-dinitro-phenyl thiocyanate (1594-56-5) + bis-(2,4-dinitro-phenyl)-sulfide (2253-67-0)

Guidance literature:

hexadecyltributylphosphonium thiocyanate; In water; chlorobenzene; at 25 ℃; Rate constant; various temp.;

DOI:10.1039/P29830000461

upstream raw materials:

bis(2-nitrophenyl)disulfide

2,4-dinitrobromobenzene

2,4-dinitro-phenyl thiocyanate

1-(2,4-dinitrophenyl)-pyridinium chloride

Downstream raw materials:

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

m-phenylenediamine

2,4-dinitrophenyl ethyl sulfide

2,2',4,4'-tetranitrodiphenylsulfoxide