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5-Bromo-2-cyanobenzeneacetonitrile, with the molecular formula C9H5N2Br, is a cyanide derivative featuring a bromo group attached to a benzene ring. It is a versatile intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds, playing a crucial role in the production of various industrial and medicinal products. Known for its wide range of applications in organic chemistry, 5-BROMO-2-CYANOBENZENEACETONITRILE is also utilized as a reagent in the preparation of complex molecules and serves as a valuable tool in the development of new chemical processes and materials.

925672-88-4

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925672-88-4 Usage

Uses

Used in Pharmaceutical Industry:
5-Bromo-2-cyanobenzeneacetonitrile is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with improved therapeutic properties.
Used in Dye Industry:
5-BROMO-2-CYANOBENZENEACETONITRILE is used as a building block in the production of dyes, where its unique structure allows for the creation of dyes with specific color characteristics and properties.
Used in Organic Chemistry Research:
5-Bromo-2-cyanobenzeneacetonitrile is employed as a reagent in the preparation of complex organic molecules, facilitating the advancement of new chemical processes and the discovery of novel materials.
Used in Material Science:
As a versatile compound, 5-Bromo-2-cyanobenzeneacetonitrile is utilized in the development of new materials with specific properties, such as improved stability or reactivity, for various industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 925672-88-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,2,5,6,7 and 2 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 925672-88:
(8*9)+(7*2)+(6*5)+(5*6)+(4*7)+(3*2)+(2*8)+(1*8)=204
204 % 10 = 4
So 925672-88-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H5BrN2/c10-9-2-1-8(6-12)7(5-9)3-4-11/h1-2,5H,3H2

925672-88-4SDS

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 4-bromo-2-(cyanomethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names Benzeneacetonitrile,5-bromo-2-cyano

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:925672-88-4 SDS

925672-88-4Relevant academic research and scientific papers

Nickel-Catalyzed Tandem Reaction of Functionalized Arylacetonitriles with Arylboronic Acids in 2-MeTHF: Eco-Friendly Synthesis of Aminoisoquinolines and Isoquinolones

Zhen, Qianqian,Chen, Lepeng,Qi, Linjun,Hu, Kun,Shao, Yinlin,Li, Renhao,Chen, Jiuxi

supporting information, p. 106 - 111 (2019/12/11)

The first example of the nickel-catalyzed tandem addition/cyclization of 2-(cyanomethyl)benzonitriles with arylboronic acids in 2-MeTHF has been developed, which provides the facile synthesis of aminoisoquinolines with good functional group tolerance under mild conditions. This chemistry has also been successfully applied to the synthesis of isoquinolones by the tandem reaction of methyl 2-(cyanomethyl)benzoates with arylboronic acids. The use of the bio-based and green solvent 2-MeTHF as the reaction medium makes the synthesis process environmentally benign. The synthetic utility of this chemistry is also indicated by the synthesis of biologically active molecules.

Regioselective Access to 3-Aryl-1-aminoisoquinolines via Nickel(I)-Catalyzed C-C and C-N Cascade Coupling Reactions from the Substituted 2-(Cyanomethyl)benzonitriles

Yang, Xicheng,Yu, Haihua,Xu, Yulong,Shao, Liming

, p. 9682 - 9695 (2018/09/06)

A novel and regioselective Ni(I) catalyzed C-C and C-N cascade coupling reactions has been developed. The cascade furnishes atom-economic access to 40 3-aryl-1-aminoisoquinolines. The regioselectivity of C(sp3)-cyano group over C(sp2

Isoquinoline-1,3-diones as Selective Inhibitors of Tyrosyl DNA Phosphodiesterase II (TDP2)

Kankanala, Jayakanth,Marchand, Christophe,Abdelmalak, Monica,Aihara, Hideki,Pommier, Yves,Wang, Zhengqiang

supporting information, p. 2734 - 2746 (2016/04/10)

Tyrosyl DNA phosphodiesterase II (TDP2) is a recently discovered enzyme that specifically repairs DNA damages induced by topoisomerase II (Top2) poisons and causes resistance to these drugs. Inhibiting TDP2 is expected to enhance the efficacy of clinically important Top2-targeting anticancer drugs. However, TDP2 as a therapeutic target remains poorly understood. We report herein the discovery of isoquinoline-1,3-dione as a viable chemotype for selectively inhibiting TDP2. The initial hit compound 43 was identified by screening our in-house collection of synthetic compounds. Further structure-activity relationship (SAR) studies identified numerous analogues inhibiting TDP2 in low micromolar range without appreciable inhibition against the homologous TDP1 at the highest testing concentration (111 μM). The best compound 64 inhibited recombinant TDP2 with an IC50 of 1.9 μM. The discovery of this chemotype may provide a platform toward understanding TDP2 as a drug target.

FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE

-

Page/Page column 54-55, (2010/08/08)

The invention relates to thiazole compounds of Formula (I) and compositions thereof useful for treating diseases mediated by protein kinase B (PKB) where the variables have the definitions provided herein. The invention also relates to the therapeutic use of such thiazole compounds and compositions thereof in treating disease states associated with abnormal cell growth, cancer, inflammation, and metabolic disorders.

THIADIAZOLE MODULATORS OF PKB

-

Page/Page column 188-189, (2009/03/07)

The invention relates to thiazole compounds of Formula I and Formula II and compositions thereof useful for treating diseases mediated by protein kinase B (PKB) where the variables have the definitions provided herein. The invention also relates to the th

HETEROCYCLIC MODULATORS OF PKB

-

Page/Page column 159, (2009/03/07)

The invention relates to heterocyclic compounds of Formula I and compositions thereof useful for treating diseases mediated by protein kinase B (PKB) where the variables have the definitions provided herein Formula (I). The invention also relates to the therapeutic use of such compounds and compositions thereof in treating disease states associated with abnormal cell growth, cancer, inflammation, and metabolic disorders.

An efficient synthesis of 1,6- and 1,7-dibromo-3-aminoisoquinolines: versatile templates for the preparation of functionalized isoquinolines

Frohn, Mike,Bürli, Roland W.,Riahi, Bobby,Hungate, Randall W.

, p. 487 - 489 (2008/02/04)

An efficient synthetic route to 1,6- and 1,7-dibromo-3-aminoisoquinoline was devised. These intermediates served as ideal templates for the preparation of 3-aminoisoquinoline analogues functionalized at C(6) or C(7).

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