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4-Bromo-3-hydroxymethyl-benzonitrile, a chemical compound with the molecular formula C8H6BrNO, is a white to yellowish crystalline solid. It is recognized for its reactivity and serves as a crucial intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. This versatile building block is highly valued in medicinal and agricultural chemistry for its role in creating a diverse array of organic compounds.

905710-66-9

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905710-66-9 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromo-3-hydroxymethyl-benzonitrile is used as a key intermediate for the synthesis of various drugs. Its unique structure and reactivity make it an essential component in the development of new pharmaceuticals, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Bromo-3-hydroxymethyl-benzonitrile is utilized as a precursor in the production of pesticides. Its incorporation into these compounds aids in the development of effective and targeted pest control solutions, enhancing agricultural productivity and crop protection.
Used in Organic Synthesis:
4-Bromo-3-hydroxymethyl-benzonitrile is employed as a reactive building block in organic synthesis reactions. Its versatility allows for the creation of a wide range of organic compounds, making it an invaluable asset in the field of organic chemistry.
Overall, 4-Bromo-3-hydroxymethyl-benzonitrile's applications span across multiple industries, highlighting its significance in the synthesis and development of various chemical compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 905710-66-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,0,5,7,1 and 0 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 905710-66:
(8*9)+(7*0)+(6*5)+(5*7)+(4*1)+(3*0)+(2*6)+(1*6)=159
159 % 10 = 9
So 905710-66-9 is a valid CAS Registry Number.

905710-66-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-3-(hydroxymethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 4-BROMO-3-HYDROXYMETHYL-BENZONITRILE

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:905710-66-9 SDS

905710-66-9Relevant academic research and scientific papers

1-HYDROXY-1,3-DIHYDROBENZO[c][1,2]OXABOROLES AND THEIR USE AS HERBICIDES

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Page/Page column 25, (2018/09/19)

Provided herein are 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaboroles and their derivatives, and compositions and methods of use thereof as herbicides.

Strategy for Overcoming Full Reversibility of Intermolecular Radical Addition to Aldehydes: Tandem C-H and C-O Bonds Cleaving Cyclization of (Phenoxymethyl)arenes with Carbonyls to Benzofurans

Zheng, Hong-Xing,Shan, Xiang-Huan,Qu, Jian-Ping,Kang, Yan-Biao

supporting information, p. 3310 - 3313 (2018/06/11)

An intermolecular addition of carbon radicals enabled by a cascade radical coupling strategy is developed. It includes an intermolecular alkyl radical addition to a carbonyl group followed by an intramolecular alkoxy radical addition to haloarenes and produces substituted benzofurans in high yields. The radical nature of this reaction is explored by radical trapping experiments and EPR analysis. The mechanism is investigated by KIE experiments and control experiments. This method could provide rapid and practical access to the key intermediate of TAM-16, a safe and potent antibacterial agent for treating tuberculosis, and, therefore, is of great importance for organic synthesis and the pharmaceutical industry.

BORON-CONTAINING SMALL MOLECULES

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, (2017/09/19)

Compounds, pharmaceutical formulations, and methods of treating bacterial infections are disclosed.

Enantioenriched synthesis of Escitalopram using lithiation-borylation methodology

Partridge, Benjamin M.,Thomas, Stephen P.,Aggarwal, Varinder K.

, p. 10082 - 10088 (2012/02/05)

The asymmetric synthesis of Escitalopram has been completed using a lithiation-borylation reaction as the key step. Suitably functionalized enantioenriched carbamate (er 98:2) and boronic ester coupling partners were prepared and following deprotonation with s-BuLi and borylation, the tertiary alcohol was obtained in 42% yield and 93:7 er. The lithiation-borylation reaction was found to tolerate nitrile, benzylic alcohol and N-Boc functionalities. The tertiary alcohol was converted to Escitalopram in three further steps.

Compounds for the Treatment of Periodontal Disease

-

, (2008/06/13)

Compounds, compositions and methods are provided which are useful in the treatment of periodontal disease.

Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use

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Page/Page column 58-59, (2008/06/13)

Compositions and methods of use of boron derivatives, including benzoxaboroles, benzazaboroles and benzthiaboroles, as therapeutic agents for treatment of diseases caused by fungi, yeast, bacteria or viruses are disclosed, as well as methods for synthesis of said agents and compositions thereof.

Discovery of a new boron-containing antifungal agent, 5-fluoro-1,3-dihydro- 1-hydroxy-2,1-benzoxaborole (AN2690), for the potential treatment of onychomycosis

Baker, Stephen J.,Zhang, Yong-Kang,Akama, Tsutomu,Lau, Agnes,Zhou, Huchen,Hernandez, Vincent,Mao, Weimin,Alley,Sanders, Virginia,Plattner, Jacob J.

, p. 4447 - 4450 (2007/10/03)

A structure-activity relationship investigation for a more efficacious therapy to treat onychomycosis, a fungal infection of the toe and fingernails, led to the discovery of a boron-containing small molecule, 5-fluoro-1,3-dihydro- 1-hydroxy-2,1-benzoxaborole (AN2690), which is currently in clinical trials for onychomycosis topical treatment.

Boron-containing small molecules

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Page/Page column 31, (2008/06/13)

This invention relates to compounds useful for treating fungal infections, more specifically topical treatment of onychomycosis and/or cutaneous fungal infections. This invention is directed to compounds that are active against fungi and have properties that allow the compound, when placed in contact with a patient, to reach the particular part of the skin, nail, hair, claw or hoof infected by the fungus. In particular the present compounds have physiochemical properties that facilitate penetration of the nail plate.

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