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2-Bromo-5-methoxybenzonitrile, with the molecular formula C8H6BrNO, is a white to off-white crystalline solid. It is a chemical compound that serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Known for its role as a building block in the production of various biologically active molecules, it is a valuable reagent in organic chemistry due to its strong resemblance to these active molecules. Furthermore, it is utilized in the production of fine chemicals and dyes.

138642-47-4

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138642-47-4 Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-5-methoxybenzonitrile is used as a key intermediate for the synthesis of pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its structural properties make it suitable for the creation of biologically active molecules, which can be further modified to target specific medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Bromo-5-methoxybenzonitrile is employed as a precursor in the production of agrochemicals. Its ability to form diverse chemical structures allows for the development of compounds that can be used in crop protection and other agricultural applications.
Used in Organic Chemistry Research:
As a versatile reagent, 2-Bromo-5-methoxybenzonitrile is used in organic chemistry for the preparation of various chemical structures. Researchers utilize its properties to explore new reactions and syntheses, potentially leading to the discovery of novel compounds with unique applications.
Used in Fine Chemicals and Dyes Production:
2-Bromo-5-methoxybenzonitrile is also used in the production of fine chemicals and dyes. Its versatility and ability to form a wide range of chemical structures make it an essential component in the creation of specialty chemicals and colorants for various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 138642-47-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,6,4 and 2 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 138642-47:
(8*1)+(7*3)+(6*8)+(5*6)+(4*4)+(3*2)+(2*4)+(1*7)=144
144 % 10 = 4
So 138642-47-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3

138642-47-4 Well-known Company Product Price

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  • Alfa Aesar

  • (H50608)  2-Bromo-5-methoxybenzonitrile, 98%   

  • 138642-47-4

  • 250mg

  • 306.0CNY

  • Detail
  • Alfa Aesar

  • (H50608)  2-Bromo-5-methoxybenzonitrile, 98%   

  • 138642-47-4

  • 1g

  • 1220.0CNY

  • Detail

138642-47-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-5-methoxybenzonitrile

1.2 Other means of identification

Product number -
Other names 2-Bromo-5-Methoxybenzonitrile

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:138642-47-4 SDS

138642-47-4Relevant academic research and scientific papers

Efficient sky-blue emitting Pt(II) complexes based on imidazo[1,2-: F] phenanthridine-containing tetradentate ligands

Zhang, Wenjuan,Ma, Jie,Liu, Guo-Jun,Liu, Xiang-Yang,Fan, Jian,Liao, Liang-Sheng

, p. 9496 - 9503 (2017)

Three blue-emitting Pt(ii) complexes (Pt1, Pt2 and Pt3) supported by imidazo[1,2-f]phenanthridine-containing tetradentate ligands have been designed and prepared. A fused ring system, imidazo[1,2-f]phenanthridine, was introduced into these complexes to mi

Mechanistic study on iodine-catalyzed aromatic bromination of aryl ethers by N-Bromosuccinimide

Pramanick, Pranab Kumar,Hou, Zhen-Lin,Yao, Bo

, p. 7105 - 7114 (2017/11/27)

Although iodine-catalyzed reaction has rapid advances in recent years, examples on iodine-catalyzed bromination are rare and the mechanism of these reactions remains unclear. Herein, we reported an I2-catalyzed aromatic bromination of aryl ethers by NBS and presented the details of the mechanistic study including kinetic study and the study of kinetic isotope effects. The study revealed that the reaction was actually catalyzed by IBr formed in the induction period, and the rate-determining step was the HBr-elimination of the Wheland intermediate assisted by IBr.

Ruthenium-catalyzed intramolecular selective halogenation of O-methylbenzohydroximoyl halides: A new route to halogenated aromatic nitriles

Chinnagolla, Ravi Kiran,Pimparkar, Sandeep,Jeganmohan, Masilamani

supporting information, p. 3146 - 3148 (2013/06/04)

The intramolecular halogenation of O-methylbenzohydroximoyl halides in the presence of a Ru catalyst and the ligand diphenylacetylene afforded halo substituted aromatic nitriles in a highly regioselective manner. Further, substituted nitriles were converted into substituted tetrazole derivatives in the presence of NaN3 and I2.

Palladium(II)-catalyzed direct conversion of methyl arenes into aromatic nitriles

Shu, Zhibin,Ye, Yuxuan,Deng, Yifan,Zhang, Yan,Wang, Jianbo

supporting information, p. 10573 - 10576 (2013/10/21)

From methyl to nitrile: A mild ammoxidation method, which directly converts methyl arenes into aromatic nitriles, has been developed by using Pd(OAc) 2 and N-hydroxyphthalimide (NHPI) as the catalysts, and tert-butyl nitrite as the nitrogen source and oxidant. Copyright

Discovery and optimization of 2,4-diaminoquinazoline derivatives as a new class of potent dengue virus inhibitors

Chao, Bo,Tong, Xian-Kun,Tang, Wei,Li, De-Wen,He, Pei-Lan,Garcia, Jean-Michel,Zeng, Li-Min,Gao, An-Hui,Yang, Li,Li, Jia,Nan, Fa-Jun,Jacobs, Michael,Altmeyer, Ralf,Zuo, Jian-Ping,Hu, You-Hong

experimental part, p. 3135 - 3143 (2012/06/01)

The results of a high-throughput screening assay using the DENV-2 replicon showed that the 2,4-diaminoquinazoline derivative 4a has a high dengue virus inhibitory activity (EC50 = 0.15 μM). A series of 2,4-diaminoquinazoline derivatives based on 4a as a lead compound were synthesized and subjected to structure-antidengue activity relationship studies. Among the series of 2,4-diaminoquinazoline derivative probed, 4o was observed to display both the highest antiviral potency (EC50 = 2.8 nM, SI > 1000) and an excellent pharmacokinetic profile.

Rapid synthesis and zebrafish evaluation of a phenanthridine-based small molecule library

Donaldson, Lauren R.,Wallace, Stephen,Haigh, David,Patton, E. Elizabeth,Hulme, Alison N.

, p. 2233 - 2239 (2011/04/27)

A Heck cyclisation approach is described for the rapid synthesis of a library of natural product-like small molecules, based on the phenanthridine core. The synthesis of a range of substituted benzylamine building blocks and their incorporation into the library is reported, together with a highly selective cis-dihydroxylation protocol that enables access to the target compounds in an efficient manner. Biological evaluation of the library using zebrafish phenotyping has led to the discovery of compound 20c, a novel inhibitor of early-stage zebrafish embryo development.

Efficient discovery of fluorescent chemosensors based on a biarylpyridine scaffold

Malashikhin, Sergey A.,Baldridge, Kim K.,Finney, Nathaniel S.

supporting information; experimental part, p. 940 - 943 (2010/06/16)

(Figure Presented) The discovery of several fluorescent chemosensors for Hg(II) and Ag(I) In mixed aqueous solution Is reported. The ease with which these fluorlonophores were prepared from a common core underscores the utility of conformational restriction as a signaling mechanism. In addition, for the first time, significant changes were observed In biarylpyridlne emission wavelength, allowing ratlometric detection of Hg(II) and Ag(I). Finally, on the basis of computational analyses, beneficial structural modifications were predicted for the next generation of chemosensors.

Reversing the discovery paradigm: A new approach to the combinatorial discovery of fluorescent chemosensors

Mello, Jesse V.,Finney, Nathaniel S.

, p. 10124 - 10125 (2007/10/03)

We report here a new approach to the discovery of fluorescent chemosensors in which a new signaling mechanism allows a core fluorophore to be used in a combinatorial search for new binding events, thus reversing the reigning discovery paradigm. Copyright

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