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94-52-0

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94-52-0 Usage

Uses

Different sources of media describe the Uses of 94-52-0 differently. You can refer to the following data:
1. Antifogging agent in photographic developers.
2. 5-Nitrobenzimidazole acts as a reagent in the synthesis of benzimidazoles derivatives with antibacterial and antifungal activities. It also functions as a reagent in the synthesis of xanthine oxidase, a key enzyme that catalyze xanthine to uric acid causing hyperuricemia in humans.

General Description

Off-white to pale yellow fluffy powder.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

5-Nitrobenzimidazole is incompatible with strong oxidizing agents and strong bases.

Fire Hazard

Flash point data for 5-Nitrobenzimidazole are not available but 5-Nitrobenzimidazole is probably combustible.

Check Digit Verification of cas no

The CAS Registry Mumber 94-52-0 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 4 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 94-52:
(4*9)+(3*4)+(2*5)+(1*2)=60
60 % 10 = 0
So 94-52-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)

94-52-0 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (A10524)  5-Nitrobenzimidazole, 98+%   

  • 94-52-0

  • 50g

  • 386.0CNY

  • Detail
  • Alfa Aesar

  • (A10524)  5-Nitrobenzimidazole, 98+%   

  • 94-52-0

  • 250g

  • 1098.0CNY

  • Detail
  • Alfa Aesar

  • (A10524)  5-Nitrobenzimidazole, 98+%   

  • 94-52-0

  • 1000g

  • 3728.0CNY

  • Detail

94-52-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Nitrobenzimidazole

1.2 Other means of identification

Product number -
Other names 6-nitro-benzimidazol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:94-52-0 SDS

94-52-0Relevant articles and documents

Homology modelling, molecular dynamics simulation and docking evaluation of β-tubulin of Schistosoma mansoni

El-Shehabi, Fouad,Mansour, Basem,Bayoumi, Waleed A.,El Bialy, Serry A.,Elmorsy, Mohammad A.,Eisa, Hassan M.,Taman, Amira

, (2021/09/16)

Schistosomiasis is one of the neglected diseases causing considerable morbidity and mortality throughout the world. Microtubules with its main component, tubulin play a vital role in helminthes including schistosomes. Benzimidazoles represent potential drug candidates by binding β-tubulin. The study aimed to generate a homology model for the β-tubulin of S. mansoni using the crystal structure of O vis aries (Sheep) β-tubulin (PDB ID: 3N2G D) as a template, then different β-tubulin models were generated and two previously reported benzimidazole derivatives (NBTP-F and NBTP-OH) were docked to the generated models, the binding results indicated that both S. mansoni, S. haematobium were susceptible to the two NBTP derivatives. Additionally, three mutated versions of S. mansoni β-tubulin wild-type were generated and the mutation (F185Y) seems to slightly enhance the ligand binding. Dynamics simulation experiments showed S. haematobium β-tubulin is highly susceptible to the tested compounds; similar to S. mansoni, moreover, mutated models of S. mansoni β-tubulin altered its NBTPs susceptibility. Moreover, additional seven new benzimidazole derivatives were synthesized and tested by molecular docking on the generated model binding site of S. mansoni β-tubulin and were found to have good interaction inside the pocket.

Sustainable Synthesis of 2-Hydroxymethylbenzimidazoles using D-Fructose as a C2 Synthon

Raja, Dineshkumar,Philips, Abigail,Sundaramurthy, Devikala,Chandru Senadi, Gopal

supporting information, p. 3754 - 3759 (2021/10/14)

D-fructose, a biomass-derived carbohydrate has been identified as an environmentally benign C2 synthon in the preparation of synthetically useful 2-hydroxymethylbenzimidazole derivatives by coupling with 1,2-phenylenediamines. Proof of concept was established by synthesizing 23 examples using BF3.OEt2 (20 mol%), TBHP (5.5 M, decane) (1.0 equiv.) in CH3CN at 90 °C for 1 h. The pivotal features of this method include metal-free conditions, short time, good functional group tolerance, gram scale feasibility and the synthesis of benzimidazole fused 1,4-oxazine. Control studies with conventional C2 synthons did not produce the desired product, thus suggesting a new reaction pathway from D-fructose.

Method for synthesizing benzimidazole from carbon dioxide and o-phenylenediamine compound

-

Paragraph 0041-0044, (2021/06/06)

The invention discloses a method for synthesizing benzimidazole from carbon dioxide and an o-phenylenediamine compound, the method is characterized in that an amino-containing functionalized ordered mesoporous polymer is used as a catalyst, o-phenylenediamine and carbon dioxide are used as raw materials, dimethylaminoborane is used as a hydrogen reduction reagent, carbon dioxide and the o-phenylenediamine compound are catalyzed to react in an NMP solvent to generate a benzimidazole compound, wherein the dosage of a catalyst is 0.01-1mol% based on the nitrogen content of the o-phenylenediamine compound; the filling pressure of the carbon dioxide is 0.1-2MPa; the reaction temperature is 60-180DEG C; the molar ratio of the catalyst to the NMP is 1:50-100. Compared with the prior art, the catalyst has the advantages of simple preparation, high catalytic activity, capability of catalyzing the reaction of carbon dioxide and the o-phenylenediamine compound under mild conditions to generate benzimidazole and derivatives thereof, and the like.

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