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METHYL 4-BROMO-2-NITROBENZOATE, with the molecular formula C8H6BrNO4, is a yellow crystalline chemical compound. It is characterized by its nitro and ester functional groups, which are crucial for a variety of chemical reactions. This substance is widely utilized in organic synthesis and pharmaceutical research, serving as a building block for the creation of diverse organic compounds, including pharmaceuticals, pesticides, and dyes. Due to its potential hazards if mishandled, it is essential to manage METHYL 4-BROMO-2-NITROBENZOATE with proper care during storage and use.

158580-57-5

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158580-57-5 Usage

Uses

Used in Organic Synthesis:
METHYL 4-BROMO-2-NITROBENZOATE is used as a key intermediate in the synthesis of various organic compounds. Its functional groups facilitate multiple types of chemical reactions, making it a versatile component in the creation of a wide array of products.
Used in Pharmaceutical Research:
In the pharmaceutical industry, METHYL 4-BROMO-2-NITROBENZOATE is employed as a building block for the development of new drugs. Its unique structure and reactivity contribute to the design and synthesis of potential therapeutic agents.
Used in Pesticide Production:
METHYL 4-BROMO-2-NITROBENZOATE is utilized as a chemical constituent in the formulation of pesticides. Its properties allow for the creation of effective agents against pests, contributing to agricultural productivity and crop protection.
Used in Dye Manufacturing:
METHYL 4-BROMO-2-NITROBENZOATE is also used in the production of dyes, where its chemical structure imparts color and stability to the final products. Its application in this industry is crucial for the development of new dyes with specific characteristics for various uses, including textiles and other materials.

Check Digit Verification of cas no

The CAS Registry Mumber 158580-57-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,8,5,8 and 0 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 158580-57:
(8*1)+(7*5)+(6*8)+(5*5)+(4*8)+(3*0)+(2*5)+(1*7)=165
165 % 10 = 5
So 158580-57-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3

158580-57-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-Bromo-2-nitrobenzoate

1.2 Other means of identification

Product number -
Other names Methyl 4-bromo-2-nitrobenzoate

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:158580-57-5 SDS

158580-57-5Relevant academic research and scientific papers

Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies

Ji, Pengfei,Drake, Tasha,Murakami, Akiko,Oliveres, Pau,Skone, Jonathan H.,Lin, Wenbin

, p. 10553 - 10561 (2018)

The Lewis acidity of metal-organic frameworks (MOFs) has attracted much research interest in recent years. We report here the development of two quantitative methods for determining the Lewis acidity of MOFs - based on electron paramagnetic resonance (EPR) spectroscopy of MOF-bound superoxide (O2?-) and fluorescence spectroscopy of MOF-bound N-methylacridone (NMA) - and a simple strategy that significantly enhances MOF Lewis acidity through ligand perfluorination. Two new perfluorinated MOFs, Zr6-fBDC and Zr6-fBPDC, where H2fBDC is 2,3,5,6-tetrafluoro-1,4-benzenedicarboxylic acid and H2fBPDC is 2,2′,3,3′,5,5′,6,6′-octafluoro-4,4′-biphenyldicarboxylic acid, were shown to be significantly more Lewis acidic than nonsubstituted UiO-66 and UiO-67 as well as the nitrated MOFs Zr6-BDC-NO2 and Zr6-BPDC-(NO2)2. Zr6-fBDC was shown to be a highly active single-site solid Lewis acid catalyst for Diels-Alder and arene C-H iodination reactions. Thus, this work establishes the important role of ligand perfluorination in enhancing MOF Lewis acidity and the potential of designing highly Lewis acidic MOFs for fine chemical synthesis.

Compound serving as protein kinase inhibitor and application of compound

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Paragraph 0233-0234; 0237-0238, (2021/04/07)

The invention discloses a compound used as a protein kinase inhibitor and application of the compound, the compound has an obvious inhibition effect on protein kinase activity, can be used as a BTK inhibitor for preparing medicines for treating BTK-mediated diseases such as malignant tumors, autoimmune diseases and the like, and has wide application prospect.

INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION

-

Page/Page column 23-24, (2021/10/22)

A pharmaceutical composition comprising the compound of Formula Ia, Formula Ib, Formula Ic, or Formula Id, or a pharmaceutically acceptable salt thereof, is set forth. (Formula Ia), (Formula Ib), (Formula Ic), (Formula Id)

INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION

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Page/Page column 228, (2020/06/10)

Compounds of Formula (I), including pharmaceutically acceptable salts thereof, and compositions and methods for treating human immunodeficiency virus (HIV) infection are set forth:

The Suzuki–Miyaura Cross-Coupling as the Key Step in the Synthesis of 2-Aminobiphenyls and 2,2'-Diaminobiphenyls: Application in the Synthesis of Schiff Base Complexes of Zn

Hylland, Knut Tormodss?nn,?ien-?degaard, Sigurd,Tilset, Mats

supporting information, p. 4208 - 4226 (2020/07/06)

2-Nitrophenylboronic acids serve as interesting starting materials for the construction of biphenyl- and terphenyl-based amines if subjected to the Suzuki–Miyaura reaction. Unfortunately, these boronic acids suffer from low reactivity in Suzuki reactions, alongside their low stability in the presence of Pd. Herein, a general method for the construction of 2-nitro-substituted bi- and terphenyls is presented, with special emphasis on the synthesis of 2-amino-2'-nitrobi- and terphenyls. Comparisons are made with other boronic acids that have some of the aforementioned issues. Finally, the application of the obtained 2-amino-2'-nitrobi- and terphenyls as starting materials for the synthesis of bi- and terphenyl based di- and triamines is encountered for, with emphasis on the use of these amines as precursors for Schiff base ligands. In addition, the synthesis of some Zn complexes of these ligands is presented.

INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE

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Paragraph 0291, (2020/03/23)

There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the disclosure.

Small molecule compound

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Paragraph 0423-0424; 0425-0426, (2020/01/12)

The invention provides a small molecular compound, The small molecular compound is characterized by having a structure as shown in the following molecular general formula, wherein X1 and X2 are selected from carbon or nitrogen, G1 is a carbon ring or a heterocyclic ring with aromaticity, any one or more hydrogen atoms on the G1 ring are substituted by R1, wherein R1 is selected from nitrogen-containing groups. The small molecule compound can be used as an efficient and specific JAK kinase inhibitor, especially a Tyk2 inhibitor, and/or a JAK1 inhibitor, and/or a JAK1/Tyk2 dual inhibitor, or a Tyk2/JAK1 dual inhibitor or a Tyk2/Jak2 dual inhibitor.

PROCESS FOR THE PREPARATION OF ORGANIC BROMIDES

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Paragraph 00139; 00141; 00160, (2017/07/28)

The present invention provides a process for the preparation of organic bromides, by a radical bromodecarboxylation of carboxylic acids with a bromoisocyanurate.

SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE

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Page/Page column 300, (2017/08/01)

The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof, or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof, and methods and compositions for treating or ameliorating abnormal cell proliferative disorders, such as cancer, wherein A, R2, R3, R10, E1, E2, E3, Y, and Z are as defined herein.

3-(BIARYLOXY) PROPIONIC ACID DERIVATIVE

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Page/Page column 65, (2012/07/14)

A compound of the general formula (I): [wherein, R1 represents a halogen atom, or the like, R2 represents a hydrogen atom, or the like, R3 and R4, each independently, represent a hydrogen atom, a C1-4

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