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2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE, with the molecular formula C8H6BrNS, is a chemical compound belonging to the phenyl isothiocyanates class. It is characterized by a distinct odor and notable reactivity with various chemicals, which makes it a valuable component in organic synthesis and chemical research. Its unique properties also contribute to its use in the development of pharmaceuticals, agrochemicals, and research materials.

19241-39-5

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19241-39-5 Usage

Uses

Used in Organic Synthesis:
2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE is used as a key intermediate in the synthesis of various organic compounds due to its reactivity with a range of other chemicals, facilitating the creation of new molecules for research and development.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE is used as a building block for the development of new drugs, leveraging its ability to form a variety of chemical structures that can exhibit therapeutic properties.
Used in Agrochemicals:
2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE is used as a component in the formulation of agrochemicals, particularly those with pesticidal properties, due to its inherent biological activity and potential to be incorporated into effective compounds for pest control.
Used in Chemical Research:
In the field of chemical research, 2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE is utilized as a subject of study to explore its properties, reactions, and potential applications in creating new materials and compounds.
Safety Precautions:
Due to the reactivity and potential hazards of 2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE, it is essential to handle 2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE with care, following proper safety protocols to minimize risks during its use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 19241-39-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,9,2,4 and 1 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 19241-39:
(7*1)+(6*9)+(5*2)+(4*4)+(3*1)+(2*3)+(1*9)=105
105 % 10 = 5
So 19241-39-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3

19241-39-5 Well-known Company Product Price

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  • Alfa Aesar

  • (L09413)  2-Bromo-4-methylphenyl isothiocyanate, 98%   

  • 19241-39-5

  • 1g

  • 322.0CNY

  • Detail
  • Alfa Aesar

  • (L09413)  2-Bromo-4-methylphenyl isothiocyanate, 98%   

  • 19241-39-5

  • 5g

  • 1240.0CNY

  • Detail

19241-39-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-1-isothiocyanato-4-methylbenzene

1.2 Other means of identification

Product number -
Other names 2-Bromo-4-methylphenyl isothiocyanate

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:19241-39-5 SDS

19241-39-5Relevant academic research and scientific papers

Isothiocyanate-Directed Ortho-Selective Halogenation of Arenes via C–H Functionalization

Mandapati, Usharani,Pinapati, Srinivasarao,Tamminana, Ramana,Rameshraju, Rudraraju

, p. 418 - 423 (2017/11/29)

Abstract: Ortho-selective halogenation of arenes via C–H functionalization has been described under mild reaction conditions. In this reaction Cu(II)X2 was used as a halide source. It is a simple, general and efficient method for the synthesis of 2-halo aromatic isothiocyanates. All the reactions are carried out under optimized reaction conditions to provide their respective desired products in good to high yield. Graphical Abstract: We have developed a general, simple and efficient method for the synthesis of 2-halo arylisothiocyanates from isothiocyanates through ortho-selective halogenation under mild reaction conditions. Cu(II)X2 was used as a halide source for this methodology. All the reactions are carried out under optimized reaction conditions to provide their respective desired products in good to high yield. [Figure not available: see fulltext.].

Isothiocyanation of amines using the Langlois reagent

Liao, Yan-Yan,Deng, Jian-Chao,Ke, Yan-Ping,Zhong, Xiao-Lin,Xu, Li,Tang, Ri-Yuan,Zheng, Wenxu

supporting information, p. 6073 - 6076 (2017/07/10)

The Langlois reagent was found to be effective for the isothiocyanation of primary amines in the presence of copper iodide and diethyl phosphonate.

Convenient synthesis of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles with 1 mol% CuCl2·2H2O as catalyst in water

Wen, Li-Rong,Li, Shou-Lei,Zhang, Jian,Li, Ming

, p. 1581 - 1588 (2015/03/18)

A convenient and efficient procedure for the synthesis of benzo[4,5]thiazolo [2,3-c][1,2,4]triazoles has been developed via a tandem intermolecular C-N bond and intramolecular C-S bond formation sequence from o-bromo-arylisothiocyanates and aroylhydrazides. A series of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles were provided in excellent overall yields with 1 mol% CuCl2·2H2O/1 mol% 1,10-phenanthroline as the catalyst and water as the solvent. This journal is

Environmentally benign one-pot synthesis of cyanamides from dithiocarbamates using I2 and H2O2

Jamir, Latonglila,Sinha, Upasana Bora,Nath, Jayashree,Patel, Bhisma K.

experimental part, p. 951 - 958 (2012/02/01)

An environmentally benign reaction is devised for the synthesis of cyanamides from dithiocarbamate salts using iodine and H2O 2. Taylor & Francis Group, LLC.

Synthesis and reactivity studies of a new reagent, ethyltriphenylphosphonium tribromide

Jamir, Latonglila,Alimenla,Kumar, Anil,Sinha, Dipak,Sinha, Upasana B.

, p. 147 - 155 (2011/03/17)

A new reagent, ethyltriphenyl phosphonium tribromide (ETPPTB), has been synthesized and studied. Results show that the reagent is quite efficient for various reactions such as organic bominations, acylations, and isothiocyanate preparation. Copyright

Copper(I)-catalyzed cascade synthesis of 2-substituted 1,3-benzothiazoles: Direct access to benzothiazolones

Murru, Siva,Mondal, Pravat,Yella, Ramesh,Patel, Bhisma K.

experimental part, p. 5406 - 5413 (2010/02/28)

An efficient cascade process for the preparation of 2-substituted 1,3-benzothiazoles directly from 2-haloaryl isothiocyanates and O or S nucleophiles by a Cu-catalyzed, intramolecular, C-S bond formation has been developed. This cascade method is viable f

A one-pot preparation of cyanamide from dithiocarbamate using molecular iodine

Nath, Jayashree,Patel, Bhisma K.,Jamir, Latonglila,Sinha, Upasana Bora,Satyanarayana

experimental part, p. 1503 - 1506 (2010/05/18)

An efficient one-pot method for the synthesis of cyanamides from dithiocarbamate salts via a double desulfurization strategy using molecular iodine is disclosed. Dithiocarbamates, by the action of iodine yield isothiocyanates in situ, which on treatment with aqueous NH3 give thioureas. The thioureas so generated undergo further oxidative desulfurization with I2 giving corresponding cyanamides in good yields. Environmental benignity, cost effectiveness and high yields are the important attributes of this one pot procedure. The Royal Society of Chemistry 2009.

Synthesis of thiophene-2-carboxamidines containing 2-aminothiazoles and their biological evaluation as urokinase inhibitors

Wilson, Kenneth J.,Illig, Carl R.,Subasinghe, Nalin,Hoffman, James B.,Jonathan Rudolph,Soll, Richard,Molloy, Christopher J.,Bone, Roger,Green, David,Randall, Troy,Zhang, Marie,Lewandowski, Frank A.,Zhou, Zhao,Sharp, Celia,Maguire, Diane,Grasberger, Bruce,DesJarlais, Renee L.,Spurlino, John

, p. 915 - 918 (2007/10/03)

The serine protease urokinase (uPa) has been implicated in the progression of both breast and prostate cancer. Utilizing structure based design, the synthesis of a series of substituted 4-[2-amino-1,3-thiazolyl]-thiophene-2-carboxamidines is described. Further optimization of this series by substitution of the terminal amine yielded urokinase inhibitors with excellent activities.

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