2-[(2,4-Dinitrophenyl)thio]aniline

Base Information

• Chemical Name: 2-[(2,4-Dinitrophenyl)thio]aniline
• CAS No.: 14393-62-5
• Molecular Formula: C12H9N3O4S
• Molecular Weight: 291.287
• NSC Number: 30361
• DSSTox Substance ID: DTXSID20932172
• Nikkaji Number: J364.045K
• Wikidata: Q82907835
• Mol file: 14393-62-5.mol

Synonyms:2-[(2,4-dinitrophenyl)thio]aniline;14393-62-5;2-(2,4-dinitrophenyl)sulfanylaniline;2-((2,4-dinitrophenyl)thio)aniline;NSC30361;Maybridge1_004377;HMS553O23;DTXSID20932172;NJAHRSCGCZDFPB-UHFFFAOYSA-N;NSC-30361;2-[(2,4-DINITROPHENYL)SULFANYL]ANILINE

Chemical Property of 2-[(2,4-Dinitrophenyl)thio]aniline

Chemical Property:

• Vapor Pressure: 2.85E-08mmHg at 25°C
• Refractive Index: 1.716
• Boiling Point: 449.5 °C at 760 mmHg
• Flash Point: 225.6 °C
• Density: 1.52 g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 291.03137695
• Heavy Atom Count: 20
• Complexity: 371

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[(2,4-Dinitrophenyl)thio]aniline

There total 10 articles about 2-[(2,4-Dinitrophenyl)thio]aniline 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: 88.0%

2-amino-benzenethiol (137-07-5) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 2-amino-2',4'-dinitrodiphenyl sulphide (14393-62-5)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2012.06.023

Reference yield:

C15H8N2O9S + 2-amino-benzenethiol (137-07-5) → 7-hydroxy-2H-chromen-2-one (93-35-6) + 2-amino-2',4'-dinitrodiphenyl sulphide (14393-62-5)

Guidance literature:

In aq. phosphate buffer;

DOI:10.1007/s11426-012-4601-2

Reference yield:

2-(benzo[d]thiazol-2-yl)phenyl 2,4-dinitrobenzenesulfonate (1373156-67-2) + 2-amino-benzenethiol (137-07-5) → 2-(benzothiazol-2-yl)phenol (3411-95-8) + 2-amino-2',4'-dinitrodiphenyl sulphide (14393-62-5)

Guidance literature:

In dimethyl sulfoxide; for 0.5h; pH=7.4; aq. phosphate buffer;

DOI:10.1016/j.tetlet.2012.02.098

upstream raw materials:

1-chloro-2,4-dinitro-benzene

sodium 2-aminothiophenol

2-amino-benzenethiol

2-(benzo[d]thiazol-2-yl)phenyl 2,4-dinitrobenzenesulfonate

Downstream raw materials:

N-(2-((2,4-dinitrophenyl)thio)phenyl)acetamide

2-hydroxy-2,4'-'dinitrodiphenyl sulphide

{2-[(2,4-dinitrophenyl)thio]phenyl}hydrazine

N'-{2-[(2,4-dinitrophenyl)thio]phenyl}-3-(4-methylpiperazin-1-yl)propanehydrazide

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