5-nitrobenzothiazole

Base Information

• Chemical Name: 5-nitrobenzothiazole
• CAS No.: 2942-07-6
• Molecular Formula: C7H4N2O2S
• Molecular Weight: 180.187
• Hs Code.: 2934999090
• Mol file: 2942-07-6.mol

Synonyms:5-nitro-1,3-benzothiazole (IM OCS);5-nitro-1,3-benzothiazole;1/C7H4N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4;benzothiazole, 5-nitro-;

Chemical Property of 5-nitrobenzothiazole

Chemical Property:

• Vapor Pressure: 0.000261mmHg at 25°C
• Melting Point: 163-164℃
• Refractive Index: 1.729
• Boiling Point: 333.7 °C at 760 mmHg
• PKA: -0.87±0.10(Predicted)
• Flash Point: 155.6 °C
• PSA: 86.95000
• Density: 1.525 g/cm³
• LogP: 2.72770
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

5-Nitrobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-nitrobenzothiazole

There total 13 articles about 5-nitrobenzothiazole 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: 98.0%

→ 5-nitrobenzothiazole (2942-07-6)

Guidance literature:

With water; caesium carbonate; for 0.166667h; Microwave irradiation;

Reference yield: 78.0%

N-(2-chloro-5-nitrophenyl)formamide (53666-48-1) → 5-nitrobenzothiazole (2942-07-6)

Guidance literature:

With sodiumsulfide nonahydrate; In ethanol; at 85 - 90 ℃; for 0.5h;

Reference yield: 57.0%

N-(2-bromo-5-nitrophenyl)formamide (98556-09-3) → 5-nitrobenzothiazole (2942-07-6)

Guidance literature:

With sodiumsulfide nonahydrate; sulfur; In ethanol; for 2.5h; Reflux;

DOI:10.1021/acs.jmedchem.6b01163

upstream raw materials:

5-nitrobenzo[d]thiazole-2(3H)-thione

2-(2,4-dinitrophenylthio)acetic acid

2-(2,4-dinitro-phenylsulfanyl)-propionic acid

N-(2-bromo-5-nitrophenyl)formamide

Downstream raw materials:

5-aminobenzothiazole

5-nitroso-4-phenethyl-benzothiazole

4-butyl-5-nitroso-benzothiazole

5-nitro-benzothiazol-2-ylamine

Refernces

• 1、 -. "ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I' PATHWAY AND METHODS OF USE THEREOF". Page/Page column 57-58. . Retrieved 2020/03/05.
• 2、 Patrick, Donald A.,Gillespie, J. Robert,McQueen, Joshua,Hulverson, Matthew A.,Ranade, Ranae M.,Creason, Sharon A.,Herbst, Zackary M.,Gelb, Michael H.,Buckner, Frederick S.,Tidwell, Richard R.. "Urea Derivatives of 2-Aryl-benzothiazol-5-amines: A New Class of Potential Drugs for Human African Trypanosomiasis". supporting information. p. 957 - 971. Retrieved 2017/02/19.