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3-(4-nitrobenzyl)isothiourea HBr, also known as N-(4-nitrobenzyl)isothiourea hydrobromide, is a chemical compound that serves as a derivative of isothiourea with a significant nitrobenzyl moiety. This moiety is crucial for its biological and pharmacological activities, making it a valuable entity in scientific research and pharmaceutical studies.

64039-36-7

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64039-36-7 Usage

Uses

Used in Pharmaceutical Research:
3-(4-nitrobenzyl)isothiourea HBr is used as a research compound for its potential vasodilatory effects, which are important in the study and development of treatments for cardiovascular diseases and hypertension.
Used in Antimicrobial Development:
3-(4-nitrobenzyl)isothiourea HBr is used as a starting material in the development of novel antimicrobial agents due to its demonstrated antifungal and antibacterial properties, indicating its potential in combating various microbial infections.
Used in Chemical Synthesis:
In the chemical industry, 3-(4-nitrobenzyl)isothiourea HBr may be used as an intermediate in the synthesis of other pharmaceuticals or chemical compounds, leveraging its unique structural features for the creation of new molecules with specific therapeutic or industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 64039-36-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,4,0,3 and 9 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 64039-36:
(7*6)+(6*4)+(5*0)+(4*3)+(3*9)+(2*3)+(1*6)=117
117 % 10 = 7
So 64039-36-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H9N3O2S.BrH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H

64039-36-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-nitrophenyl)methyl carbamimidothioate,hydrobromide

1.2 Other means of identification

Product number -
Other names p-Nitrobenzylisothiourea hydrobromide

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:64039-36-7 SDS

64039-36-7Relevant academic research and scientific papers

Tert -Butyl Hypochlorite Mediated Oxidative Chlorination of S -Alkylisothiourea Salts: Synthesis of Sulfonyl Chlorides

Qiu, Kui,Wang, Rennan

, p. 3186 - 3190 (2015/10/19)

Under neutral conditions, a variety of S-alkylisothiourea salts were smoothly converted into the corresponding sulfonyl chlorides through tert-butyl chlorite mediated oxidative chlorination in good to excellent yields after simple purification. In addition to the environmental and procedural advantages of this method, the neutral conditions potentially make it applicable to substrates that bear acid-sensitive functional groups. For example, the Cbz-protected 2-aminoethanesulfonyl chloride could be synthesized in moderate to good yields under the current neutral conditions, and the acid-sensitive Cbz-protecting group was not affected.

Clean and economic synthesis of alkanesulfonyl chlorides from S-alkyl isothiourea salts via bleach oxidative chlorosulfonation

Yang, Zhanhui,Zhou, Bingnan,Xu, Jiaxi

, p. 225 - 229 (2014/03/21)

A simple procedure for clean and economic synthesis of alkanesulfonyl chlorides via bleach-mediated oxidative chlorosulfonation of S-alkyl isothiourea salts is disclosed. This procedure is environment- and worker-friendly with the advantages of readily accessible materials and reagents, simple and safe operations, easy purification without chromatography, and affords high yields of up to 99%.

Simple synthesis of sulfonyl chlorides from thiol precursors and derivatives by NaClO2-mediated oxidative chlorosulfonation

Yang, Zhanhui,Zheng, Yongpeng,Xu, Jiaxi

supporting information, p. 2165 - 2169 (2013/10/22)

A simple method to synthesize diverse sulfonyl chlorides through NaClO 2-mediated oxidative chlorosulfonation of S-alkyl isothiourea salts is presented. The approach features safe operation, environmental friendliness, convenient purification procedures, and delivers high yields of up to 96%. The procedure is also applicable to substrates such as thiols, disulfides, thioacetates, and xanthates. It is a versatile and convenient method for the synthesis of various sulfonyl chlorides from different thiol precursors and derivatives. Georg Thieme Verlag Stuttgart, New York.

PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS

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Page/Page column 35, (2009/06/27)

The present invention relates to processes and intermediates for the preparation of compounds useful as inhibitors of bacterial gyrase and Topoisomerase IV (Topo IV).

SOLID FORMS OF 1-ETHYL-3-(5-(5-FLUOROPYRIDIN-3-YL)-7-(PYRIMIDIN-2-YL)-1H-BENZO[D]IMIDAZOL-2-YL)UREA

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Page/Page column 55-56, (2009/07/17)

Solid forms of crystalline1-ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)- 1H-benzo[d]imidazol-2-yl)urea, compositions containing solid forms of crystalline 1- ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzo[d]imidazol-2-yl)urea and m

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