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2-BROMO-4-METHYL-6-NITROPHENOL is a yellow crystalline organic compound with the chemical formula C7H6BrNO3. It is a derivative of phenol, featuring a bromine atom at the 2-position, a methyl group at the 4-position, and a nitro group at the 6-position. 2-BROMO-4-METHYL-6-NITROPHENOL is recognized for its potent and selective inhibitory activity against peptidyl-prolyl cis/trans isomerase, which has garnered interest in its potential application in cancer treatment. Furthermore, it exhibits antimicrobial properties, making it valuable in the production of antiseptic and disinfectant products.

20039-91-2

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20039-91-2 Usage

Uses

Used in Pharmaceutical Industry:
2-BROMO-4-METHYL-6-NITROPHENOL is used as a precursor in the synthesis of various pharmaceuticals due to its unique chemical structure and reactivity. Its role in inhibiting peptidyl-prolyl cis/trans isomerase makes it a candidate for developing treatments targeting specific types of cancer.
Used in Dye Industry:
As a chemical intermediate, 2-BROMO-4-METHYL-6-NITROPHENOL is utilized in the production of dyes, capitalizing on its chemical properties to create a range of colorants for different applications.
Used in Antimicrobial Applications:
2-BROMO-4-METHYL-6-NITROPHENOL is used as an antimicrobial agent in the manufacturing of antiseptic and disinfectant products, leveraging its ability to inhibit the growth of microorganisms and contribute to hygiene and sanitation efforts.
Used in Research and Development:
2-BROMO-4-METHYL-6-NITROPHENOL serves as a valuable tool in research settings, where it is employed to study the mechanisms of action of peptidyl-prolyl cis/trans isomerase inhibitors and to explore new avenues in medicinal chemistry and drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 20039-91-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,0,3 and 9 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 20039-91:
(7*2)+(6*0)+(5*0)+(4*3)+(3*9)+(2*9)+(1*1)=72
72 % 10 = 2
So 20039-91-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrNO3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3

20039-91-2SDS

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 2-Bromo-4-methyl-6-nitrophenol

1.2 Other means of identification

Product number -
Other names 2-BROMO-4-METHYL-6-NITROPHENOL

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:20039-91-2 SDS

20039-91-2Relevant academic research and scientific papers

TYK2 INHIBITORS AND USES THEREOF

-

Paragraph 00578, (2020/09/27)

Described herein are compounds that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation.

Graphene Oxide Promoted Oxidative Bromination of Anilines and Phenols in Water

Ghorpade, Prashant Vasantrao,Pethsangave, Dattatray Appasha,Some, Surajit,Shankarling, Ganapati Subray

, p. 7388 - 7397 (2018/07/29)

The mildly acidic and oxidative nature of graphene oxide, with its large surface area available for catalytic activity, has been explored in aromatic nuclear bromination chemistry for the first time. The versatile catalytic activity of graphene oxide (GO) has been used to selectively and rapidly brominate anilines and phenols in water. The best results were obtained at ambient temperatures using molecular bromine in a protocol promoted by oxidative bromination catalyzed by GO; these transformations proceeded with 100% atom economy with respect to bromine and high selectivities for the tribromoanilines and -phenols. Reduced graphene oxide (r-GO) was observed to form after the second recycle (third use) of GO. This technique is also effective with N-bromosuccinimide (NBS) as the brominating reagent. In the case of NBS, reactions were instantaneous and the GO displayed excellent recyclability without any loss of activity over several cycles.

BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF

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Page/Page column 31, (2010/10/19)

The bicyclo-substituted pyrazolon-azo derivatives of formula (I) or pharmaceutical acceptable salts, hydrates or solvates thereof, methods for their preparation, pharmaceutical compositions containing the same and their use as a therapeutic agent, especially as thrombopoietin (TPO) mimetics and their use as agonists of thrombopoietin receptor are disclosed. The definition of substituents in formula (I) are the same as defined in the description.

3,4-Dihydro-2H-benzo[1,4]oxazine derivatives as 5-HT6 receptor antagonists

Zhao, Shu-Hai,Berger, Jacob,Clark, Robin D.,Sethofer, Steven G.,Krauss, Nancy E.,Brothers, Julie M.,Martin, Renee S.,Misner, Dinah L.,Schwab, Dietmar,Alexandrova, Ludmila

, p. 3504 - 3507 (2008/02/09)

A series of novel 3,4-dihydro-2H-benzo[1,4]oxazine derivatives has been designed and synthesized as 5-HT6 receptor antagonists. Many of the compounds displayed subnanomolar affinities for the 5-HT6 receptor and good brain penetration in rats. The relationship of structure and lipophilicity to hERG inhibition of this series of compounds is discussed.

OOxidative bromination of activated aromatic compounds using aqueous nitric acid as an oxidant

Joshi, Ashutosh V.,Baidossi, Mubeen,Mukhopadhyay, Sudip,Sasson, Yoel

, p. 568 - 570 (2013/09/02)

Oxidative bromination of activated aromatic compounds using alkali metal bromide salts and aqueous nitric acid to the corresponding bromo-derivatives is achieved in a liquid-liquid, two-phase system under ambient conditions. Nitric acid offers a dual function of an oxidant as well as a proton donor, which is essential for oxidative bromination using metal bromide salts. Bromination as well as chlorination could be accomplished with this simple system.

Coordination chemistry of unsymmetrical tripodal ligands with an NNO2 donor set

Ochs, Christian,Hahn, F. Ekkehardt,Froehlich, Roland

, p. 2427 - 2436 (2007/10/03)

The synthesis of two new tripodal ligands N(CH2CH2NH2)(CH2CH2CH 2OH)2 (H4-1) and N[2,3,5-C6H2(OH)(SCH3)(CH3)](CH 2/su

A Novel Approach To Polycyclic Indolic Systems

Hardcastle, Ian R.,Hunter, Ruth F.,Quayle, Peter,Edwards, Philip N.

, p. 3805 - 3808 (2007/10/02)

An intramolecular Diels-Alder strategy has been developed for the synthesis of polycyclic oxindole-containing systems.

Influence de la complexation sur la reactivite de nitrates d'halogenes

Gaude, Didier,Gellon, Gisele,Goaller, Raymond Le,Pierre, Jean-Louis

, p. 104 - 108 (2007/10/02)

Iodine nitrate or bromine nitrate in acetonitrile or in chloroform react with a variety of phenolic substrates to form both halogenated and nitrated products.In the presence of strong complexing agents of halonium ions, no reacting occurs, while in the presence of pyridine or triethylamine, only halogenated phenols exhibiting a strong ortho-directing effect of the phenolic function are produced. Keywords: phenols, iodine nitrate, bromine nitrate, halogenation, nitration.

ipso NITRATION. XXIX. NITRATION OF SUBSTITUTED 4-METHYLANISOLES AND PHENOLS

Fischer, Alfred,Henderson, George N.,RayMahasay, Sumit

, p. 1233 - 1240 (2007/10/02)

Nitration of 2-chloro-4-methylanisole (1a) in acetic anhydride gives (Z)-4-chloro-3-methoxy-6-methyl-6-nitrocyclohexa-2,4-dienyl acetate (2a), 2-chloro-4-methyl-4-nitrocyclohexa-2,5-dienone (3a), and 2-chloro-4-methyl-6-nitroanisole (4a).Similarly 2-bromo-4-methylanisole (1b) gives (Z)-4-bromo-3-methoxy-6-methyl-6-nitrocyclohexa-2,4-dienyl acetate (2b), 2-bromo-4-methyl-4-nitrocyclohexa-2,5-dienone (3b), and 2-bromo-4-methyl-6-nitroanisole (4b), whereas 4-methyl-2-nitro-anisole (1c) gives (Z)-3-methoxy-6-methyl-4,6-dinitrocyclohexa-2,4-dienyl acetate (2c), (Z)-3-methoxy-6-methyl-2,6-dinitrocyclohexa-2,4-dienyl acetate (7), and 4-methyl-2,6-dinitroanisole (4c).Nitration of 3-chloro-4-methylanisole (9a) gives 3-chloro-4-methyl-4-nitrocyclohexa-2,5-dienone (10a), 3-chloro-4-methyl-2-nitro anisole (11a), and 5-chloro-4-methyl-2-nitroanisole (12a), and 4-methyl-3-nitroanisole (9c) gives (Z)-3-methoxy-6-methyl-5,6-dinitrocyclohexa-2,4-dienyl acetate (13), 4-methyl-2,3-dinitroanisole (11c), and 4-methyl-2,5-dinitroanisole (12c).Nitration of 2-chloro-4-methylphenol (14) in chloroform gives 3a and 2-chloro-4-methyl-6-nitrophenol (5a), and 3-chloro-4-methylphenol (15) gives dienone 10a, 3-chloro-4-methyl-2-nitrophenol (16), and 5-chloro-4-methyl-2-nitrophenol (17).

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