2-[(2-Nitrophenyl)sulfanyl]aniline

Base Information

• Chemical Name: 2-[(2-Nitrophenyl)sulfanyl]aniline
• CAS No.: 19284-81-2
• Molecular Formula: C12H10N2O2S
• Molecular Weight: 246.29
• Hs Code.: 2930909090
• European Community (EC) Number: 677-108-5
• DSSTox Substance ID: DTXSID70351430
• Nikkaji Number: J82.855F
• Wikidata: Q72495839
• ChEMBL ID: CHEMBL1596470
• Mol file: 19284-81-2.mol

Synonyms:19284-81-2;2-Amino-2'-nitro diphenyl sulfide;2-[(2-nitrophenyl)sulfanyl]aniline;2-((2-Nitrophenyl)thio)aniline;2-(2-nitrophenyl)sulfanylaniline;2-Amino-2'-nitrodiphenyl sulfide;2-(2-Nitrophenylthio)aniline;CHEMBL1596470;2-[(2-nitrophenyl)thio]aniline;Benzenamine, 2-[(2-nitrophenyl)thio]-;2-AMINO-2/'-NITRO DIPHENYL SULFIDE;2-Amino-2'-nitrodiphenylsulfide;Maybridge1_003546;EC-000.1445;MLS000699970;SCHEMBL8095611;HMS551J04;2-amino-2'-nitrodiphenylsulphide;DTXSID70351430;HMS2577N04;2-Aminophenyl 2-Nitrophenyl Sulfide;BDBM50028889;MFCD00121816;AKOS015898626;AC-10745;AS-63187;SMR000225120;CS-0318356;FT-0611019;D88493;A813606;J-507757

Chemical Property of 2-[(2-Nitrophenyl)sulfanyl]aniline

Chemical Property:

• Melting Point: 87 °C
• Boiling Point: 375.325 °C at 760 mmHg
• PKA: 2.67±0.10(Predicted)
• Flash Point: 180.79 °C
• PSA: 97.14000
• Density: 1.372 g/cm³
• LogP: 4.43260
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 246.04629874
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-2'-nitrodiphenyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[(2-Nitrophenyl)sulfanyl]aniline

There total 14 articles about 2-[(2-Nitrophenyl)sulfanyl]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: 99.0%

1,2-Dinitrobenzene (528-29-0) + 2-Aminophenyl disulfide (1141-88-4) → 2-(2-nitro)phenylthiophenylamine (19284-81-2)

Guidance literature:

2-Aminophenyl disulfide; With ammonium hydroxide; L-Cysteine; In N,N-dimethyl-formamide; at 50 ℃; for 0.0166667h; pH=9; Inert atmosphere;

1,2-Dinitrobenzene; In N,N-dimethyl-formamide; at 50 ℃; for 0.166667h;

DOI:10.1515/hc-2018-0099

Reference yield: 92.0%

2-Chloronitrobenzene (88-73-3) + 2-amino-benzenethiol (137-07-5) → 2-(2-nitro)phenylthiophenylamine (19284-81-2)

Guidance literature:

With triethylamine;

DOI:10.1080/10426507.2019.1709458

Reference yield: 90.0%

bis-(2-nitro-phenyl)-sulfide (22100-66-9) → 2-(2-nitro)phenylthiophenylamine (19284-81-2)

Guidance literature:

With hydrogen; at 110 ℃; for 30h; under 750.075 Torr; chemoselective reaction;

DOI:10.1021/acscatal.0c04379

upstream raw materials:

o-nitrobenzenesulfenanilide

2-Chloronitrobenzene

2-amino-benzenethiol

aniline

Downstream raw materials:

(2-chloro-phenyl)-(2-nitro-phenyl)-sulfane

(2-iodo-phenyl)-(2-nitro-phenyl)-sulfide

2-bromophenyl(2-nitrophenyl)sulfane

2,2'-thiodianiline

Refernces

• 1、 Dehghani-Firouzabadi, Ahmad Ali,Sobhani, Morteza,Notash, Behrouz. "Synthesis and characterization of metal complexes with NOS unsymmetrical tridentate Schiff base ligand. X-ray crystal structures determination of nickel(II) and copper(II) complexes". . p. 49 - 54. Retrieved 2016.
• 2、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Dwivedi, Ashutosh,Manna, Kuntal. "Aluminum Metal-Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective Catalysis". . p. 3943 - 3957. Retrieved 2021/04/12.