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3-Bromo-4-methyl-5-nitrobenzoic acid is a chemical compound characterized by its molecular formula C8H6BrNO4. It is a yellow powder known for its strong and stable nitro group, which makes it a valuable building block in organic synthesis and pharmaceutical research. This versatile compound is recognized for its potential applications in the development of new drugs and materials, highlighting its importance in the field of chemistry and pharmaceuticals.

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  • 34545-20-5 Structure
  • Basic information

    1. Product Name: 3-BROMO-4-METHYL-5-NITROBENZOIC ACID
    2. Synonyms: Benzoic acid, 3-broMo-4-Methyl-5-nitro-
    3. CAS NO:34545-20-5
    4. Molecular Formula: C8H6BrNO4
    5. Molecular Weight: 260.04154
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 34545-20-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 387°C at 760 mmHg
    3. Flash Point: 187.9°C
    4. Appearance: /
    5. Density: 1.777g/cm3
    6. Vapor Pressure: 1.11E-06mmHg at 25°C
    7. Refractive Index: 1.633
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-BROMO-4-METHYL-5-NITROBENZOIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-BROMO-4-METHYL-5-NITROBENZOIC ACID(34545-20-5)
    12. EPA Substance Registry System: 3-BROMO-4-METHYL-5-NITROBENZOIC ACID(34545-20-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 34545-20-5(Hazardous Substances Data)

34545-20-5 Usage

Uses

Used in Organic Synthesis:
3-Bromo-4-methyl-5-nitrobenzoic acid is used as a building block in organic synthesis for the creation of various complex organic compounds. Its unique structure and functional groups facilitate the formation of new chemical entities, contributing to the advancement of organic chemistry.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-Bromo-4-methyl-5-nitrobenzoic acid is utilized as a reagent in the preparation of pharmaceutical compounds. Its strong nitro group allows for the synthesis of a wide range of drug candidates, enhancing the development of novel therapeutic agents.
Used in Drug Development:
3-Bromo-4-methyl-5-nitrobenzoic acid is studied for its potential applications in the development of new drugs. Its unique chemical properties and reactivity make it a promising candidate for the design and synthesis of innovative pharmaceuticals, addressing unmet medical needs.
Used in Material Science:
3-Bromo-4-methyl-5-nitrobenzoic acid also has potential applications in the field of material science. Its chemical structure and properties can be exploited to develop new materials with specific characteristics, such as improved stability, reactivity, or selectivity, for various industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 34545-20-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,4,5,4 and 5 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 34545-20:
(7*3)+(6*4)+(5*5)+(4*4)+(3*5)+(2*2)+(1*0)=105
105 % 10 = 5
So 34545-20-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrNO4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)

34545-20-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-4-methyl-5-nitrobenzoic acid

1.2 Other means of identification

Product number -
Other names 5-bromo-4-methyl-2-thiophenecarboxylic acid

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:34545-20-5 SDS

34545-20-5Relevant articles and documents

SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE

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Page/Page column 141; 149, (2019/01/21)

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 pr

CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF

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Page/Page column 69; 79, (2017/03/21)

Carboxy-substituted (hetero)aryl derivatives, pharmaceutical compositions comprising these compounds, and methods of preparing such compounds and compositions are provided. The compounds or compositions are useful in inhibiting xanthine oxidase and urate anion transporter 1, and also can be used in the treatment or prevention of diseases associated with high blood uric acid level in mammals, especially humans.

Synthesis of substituted 4-(1H-indol-6-yl)-1H-indazoles as potential PDK1 inhibitors

Brzozowski, Martin,O'Brien, Nathan J.,Wilson, David J.D.,Abbott, Belinda M.

, p. 318 - 326 (2014/01/06)

The development of a preparative route to a series of novel 4-(1H-indol-6-yl)-1H-indazole compounds as potential PDK1 inhibitors is described. The synthetic strategy centres on the late-stage Suzuki cross-coupling of N-unprotected indazole and indole frag

COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS

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Page/Page column 35, (2011/04/25)

The invention provides a novel class of compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated kinase activity, particularly di

PROLYL HYDROXYLASE INHIBITORS

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Page/Page column 16-17, (2010/07/10)

The invention described herein relates to certain 2,4-dioxo-l,2,3,4-tetrahydro-7- quinazolinecarboxamide derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

Studies on the Synthesis of Substituted Phenanthrenoids

Leed, Andrew R.,Boettger, Susan D.,Ganem, Bruce

, p. 1098 - 1106 (2007/10/02)

Highly regioselective reactions for the construction of polysubstituted benzenes 18, 19, 20, 22, 24, and 44-47 are described, including some remarkable site-selective halogenations.These have been employed in the synthesis of halo-, nitro-, amino-, and urethane-substituted stilbenes 37, 38, and 51-56.Ideas for thermal as well as photochemical cyclizations are presented and explored.Stilbene 54 led to the formation of phenanthrenes 57, 58, and 62; likewise 55 furnished two new tricyclics, 60 and 61, whereas irradiation of 52 in tert-butylalcohol captured solvent to produce phenanthrenes 63 and 64.Strategies for the total synthesis of juncusol (1), a cytotoxic phytoalexin, are considered.

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