2-Amino-4-nitrobenzenethiol

Base Information

• Chemical Name: 2-Amino-4-nitrobenzenethiol
• CAS No.: 7686-29-5
• Molecular Formula: C6H6N2O2S
• Molecular Weight: 170.192
• DSSTox Substance ID: DTXSID60422820
• Wikidata: Q82234866
• Mol file: 7686-29-5.mol

Synonyms:2-amino-4-nitrobenzenethiol;7686-29-5;2-Amino-4-nitrobenzene-1-thiol;Benzenethiol, 2-amino-4-nitro-;2-amino-4-nitrothiophenol;SCHEMBL2242020;DTXSID60422820;SLFLKTXBLXAMKI-UHFFFAOYSA-N;AKOS011798280;AT19650

Chemical Property of 2-Amino-4-nitrobenzenethiol

Chemical Property:

• Melting Point: 108 °C
• Boiling Point: 366.3±27.0 °C(Predicted)
• PKA: 6.19±0.10(Predicted)
• PSA: 110.64000
• Density: 1.465±0.06 g/cm3(Predicted)
• LogP: 2.57010
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 170.01499861
• Heavy Atom Count: 11
• Complexity: 159

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+](=O)[O-])N)S

Technology Process of 2-Amino-4-nitrobenzenethiol

There total 8 articles about 2-Amino-4-nitrobenzenethiol 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: 33.0%

6-fluoro-3-nitroaniline (369-36-8) → 2-amino-4-nitrobenzenethiol (7686-29-5)

Guidance literature:

With sodium sulfide; sodium hydrogencarbonate; In water; at 125 ℃; for 0.0833333h; Microwave;

Reference yield:

H2NC6H3(Cl)NO2 (6283-25-6) → 2-amino-4-nitrobenzenethiol (7686-29-5)

Guidance literature:

With sodium sulfide; ethanol; sodium hydrogencarbonate;

DOI:10.1039/jr9480000870

Reference yield:

2,4-dinitrothiophenol (2218-96-4) → 2-amino-4-nitrobenzenethiol (7686-29-5)

Guidance literature:

With silver; water; In ethanol; at 20 ℃; for 0.00555556h; under 760.051 Torr; Irradiation;

DOI:10.1002/jrs.3143

upstream raw materials:

H₂NC₆H₃(Cl)NO₂

2-bromo 5-nitroaniline

6-fluoro-3-nitroaniline

2,4-Dinitrophenol

Downstream raw materials:

2-(4-chlorophenyl)-5-nitrobenzo[d]thiazole

2-(4-chlorophenyl)benzo[d]thiazol-5-amine

N-(2-(4-chlorophenyl)benzo[d]thiazol-5-yl)isobutyramide

6-nitro-3,4-dihydro-3-oxo-2H(1,4)benzothiazine

Refernces

• 1、 Chancellor, Daniel R.,Davies, Kay E.,De Moor, Olivier,Dorgan, Colin R.,Johnson, Peter D.,Lambert, Adam G.,Lawrence, Daniel,Lecci, Cristina,Maillol, Carole,Middleton, Penny J.,Nugent, Gary,Poignant, Séverine D.,Potter, Allyson C.,Price, Paul D.,Pye, Richard J.,Storer, Richard,Tinsley, Jonathon M.,Van Well, Renate,Vickers, Richard,Vile, Julia,Wilkes, Fraser J.,Wilson, Francis X.,Wren, Stephen P.,Wynne, Graham M.. "Discovery of 2-arylbenzoxazoles as upregulators of utrophin production for the treatment of duchenne muscular dystrophy". supporting information; experimental part. p. 3241 - 3250. Retrieved 2011/07/06.
• 2、 -. "TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY". Page/Page column 142. . Retrieved 2008/06/13.