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3-Bromo-4-Nitroanisole, with the molecular formula C7H6BrNO4, is a yellow to orange crystalline powder. It has a molecular weight of 219.03 g/mol. This chemical compound is utilized in various industrial applications, particularly in the synthesis of pharmaceuticals, agrochemicals, dyes, and pigments. Due to its hazardous nature, it requires careful handling to prevent skin, eye, and respiratory irritation.

98447-30-4

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98447-30-4 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-4-Nitroanisole is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows it to be a building block for the development of new drugs, contributing to the advancement of medicine.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Bromo-4-Nitroanisole serves as an essential component in the production of certain agrochemicals. Its incorporation aids in the development of effective solutions for agricultural applications, such as pest control and crop protection.
Used in Dye and Pigment Production:
3-Bromo-4-Nitroanisole is utilized as an intermediate in the organic synthesis of dyes and pigments. Its presence in the manufacturing process contributes to the creation of a wide range of colors and hues, enhancing the vibrancy and variety of products in various industries, including textiles, plastics, and printing.
Used in Organic Synthesis:
As an intermediate in organic synthesis, 3-Bromo-4-Nitroanisole plays a crucial role in the production of various chemical compounds. Its versatility in chemical reactions allows for the synthesis of a broad spectrum of products, further expanding its applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 98447-30-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,4,4 and 7 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 98447-30:
(7*9)+(6*8)+(5*4)+(4*4)+(3*7)+(2*3)+(1*0)=174
174 % 10 = 4
So 98447-30-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

98447-30-4SDS

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 2-Bromo-4-methoxy-1-nitrobenzene

1.2 Other means of identification

Product number -
Other names 2-bromo-4-methoxy-1-nitro-benzene

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:98447-30-4 SDS

98447-30-4Relevant academic research and scientific papers

Nitration of deactivated aromatic compounds via mechanochemical reaction

Wu, Jian-Wei,Zhang, Pu,Guo, Zhi-Xin

supporting information, (2021/05/05)

A variety of deactivated arenes were nitrated to their corresponding nitro derivatives in excellent yields under high-speed ball milling condition using Fe(NO3)3·9H2O/P2O5 as nitrating reagent. A radical involved mechanism was proposed for this facial, eco-friendly, safe, and effective nitration reaction.

Inexpensive NaX (X = I, Br, Cl) as a halogen donor in the practical Ag/Cu-mediated decarboxylative halogenation of aryl carboxylic acids under aerobic conditions

Fu, Zhengjiang,Jiang, Ligao,Zuo, Qianming,Li, Zhaojie,Liu, Yanzhu,Wei, Zhenhong,Cai, Hu

supporting information, p. 5416 - 5421 (2018/08/12)

Versatile and practical Ag/Cu-mediated decarboxylative halogenation between readily available aryl carboxylic acids and abundant NaX (X = I, Br, Cl) has been achieved under aerobic conditions in moderate to good yields. The halodecarboxylation is shown to be an effective strategy for S-containing heteroaromatic carboxylic acid and benzoic acids with nitro, chloro and methoxyl substituents at the ortho position. A gram-scale reaction and a three-step procedure to synthesize iniparib have been performed to evaluate the practicality of this protocol. A preliminary mechanistic investigation indicates that Cu plays a vital role and a radical pathway is involved in the transformation.

PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR

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Paragraph 0413; 0415; 0416; 0417; 0825; 0827-0829; 0869, (2018/12/03)

The present disclosure provides pyrimidine compounds of Formula 1 and uses thereof, for example, for the potential treatment of diseases associated with P2X purinergic receptors. In certain aspects, the present disclosure provides P2X3 and/or P2X2/3 antagonists which are useful, for example, for the potential treatment of visceral organ, cardiovascular and pain-related diseases, conditions and disorders.

BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS

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Page/Page column 469, (2018/03/25)

Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

Synthetic method of aryl halide taking aryl carboxylic acid as raw material

-

Paragraph 0133, (2018/01/03)

A synthetic method of an aryl halide taking aryl carboxylic acid as a raw material is characterized in that a corresponding aryl halide is formed by carrying out substitution reaction on an aryl carboxylic acid compound and haloid salt MX in an organic solvent under the condition that oxygen, a silver catalyst, a copper additive and a bidentate nitrogen ligand exist, wherein M in MX represents alkali metal or alkaline earth metal, and X represents F, Cl, Br or I. Compared with a conventional aryl halide synthetic method, the synthetic method disclosed by the invention has the obvious advantages that reaction raw materials (comprising aryl carboxylic acid and MX) are cheap and easy to obtain, the using amount of a metal catalyst is small, pollution to the environment when the oxygen is used as an oxidant is the smallest, good tolerance to various functional groups on an aromatic ring is obtained, the yield is high, and the like. The synthetic method disclosed by the invention can be widely applied to synthesis in the fields of medicine, materials, natural products and the like in industry and academia.

PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR

-

Paragraph 00285; 00286, (2017/10/13)

The present disclosure provides pyrimidine compounds and uses thereof, for example, for the treatment of diseases associated with P2X purinergic receptors. In certain aspects, the present disclosure provides P2X3 and/or P2X2/3 antagonists which are useful, for example, for the treatment of visceral organ, cardiovascular and pain-related diseases, conditions and disorders.

Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions

Fu, Zhengjiang,Li, Zhaojie,Song, Yuanyuan,Yang, Ruchun,Liu, Yanzhu,Cai, Hu

, p. 2794 - 2803 (2016/04/26)

Simple strategies for decarboxylative functionalizations of electron-deficient benzoic acids via using Cu(I) as promoter and electron-rich ones by employing Pd(II) as catalyst under aerobic conditions have been established, which lead to smooth synthesis of aryl halides (-I, Br, and Cl) through the decarboxylative functionalization of benzoic acids with readily available halogen sources CuX (X = I, Br, Cl), and easy preparation of benzonitriles from decarboxylative cyanation of aryl carboxylic acids with nontoxic and low-cost K4Fe(CN)6 under an oxygen atmosphere for the first time.

AMPHIPATHIC AND OTHER DOUBLE-SIDED ALPHA-HELIX MIMETICS BASED ON A 1,2-DIPHENYLACETYLENE SCAFFOLD

-

, (2014/09/29)

Small-molecule scaffolds based on 1,2-diphenylacetylene that accurately replicate the spatial and angular projections of several side chains on both faces of an α-helix, specifically the i and i+7 side chains on one face, and the i and i+2 side chains on the other. The amphipathic α-helix mimetic can be used to disrupt disease-promoting protein-protein interactions that are mediated by α-helices.

2-Aryl-3H-indol-3-ones: Synthesis, electrochemical behaviour and antiplasmodial activities

Najahi, Ennaji,Valentin, Alexis,Fabre, Paul-Louis,Reybier, Karine,Nepveu, Fran?oise

, p. 269 - 274 (2014/04/17)

The synthesis of indolone derivatives and their antiplasmodial activity in vitro against Plasmodium falciparum at the blood stage are described. The 2-aryl-3H-indol-3-ones were synthesized via deoxygenation of indolone-N-oxides. Electrochemical behaviour, antiplasmodial activity and cytotoxicity on human tumor cell lines were compared to those of indolone-N-oxides. The antiplasmodial IC50 (concentrations at 50% inhibition) of these compounds ranged between 49 and 1327 nM. Among them, the 2-(4-dimethylaminophenyl)-5-methoxy- indol-3-one, 7, had the best antiplasmodial activity in vitro (IC50 = 49 nM; FcB1 strain) and selectivity index (SI (CC50 MCF7/IC 50 FcB1) = 423.4). Thus, the hits identified in this deoxygenated series correspond to their structural homologs in the N-oxide series with comparable electrochemical behaviour at the nitrogen-carbon double bond.

Amphipathic α-helix mimetics based on a 1,2-diphenylacetylene scaffold

Jung, Kwan-Young,Vanommeslaeghe, Kenno,Lanning, Maryanna E.,Yap, Jeremy L.,Gordon, Caryn,Wilder, Paul T.,Mackerell, Alexander D.,Fletcher, Steven

, p. 3234 - 3237 (2013/07/26)

In order to mimic amphipathic α-helices, a novel scaffold based on a 1,2-diphenylacetylene was designed. NMR and computational modeling confirmed that an intramolecular hydrogen bond favors conformations of the 1,2-diphenylacetylene that allow for accurat

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