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3-Bromo-5-methoxybenzoic acid is a chemical compound characterized by the molecular formula C8H7BrO3. It is an organic compound that features a benzene ring with a bromine atom and a methoxy group as substituents. The unique structure of 3-Bromo-5-methoxybenzoic acid, with its bromine and methoxy groups, makes it a versatile reagent in organic synthesis, particularly for the creation of more complex molecules. 3-Bromo-5-methoxybenzoic acid is widely recognized for its applications across the pharmaceutical, chemical, and agricultural industries.

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  • 157893-14-6 Structure
  • Basic information

    1. Product Name: 3-BROMO-5-METHOXYBENZOIC ACID
    2. Synonyms: 5-BROMO-3-METHOXYBENZOIC ACID;3-BROMO-5-METHOXYBENZOIC ACID;3-Bromo-5-methoxybenzoic acid 99%;3-Bromo-5-carboxyanisole;3-Bromo-5-carboxyanisole, 5-Bromo-m-anisic acid
    3. CAS NO:157893-14-6
    4. Molecular Formula: C8H7BrO3
    5. Molecular Weight: 231.04
    6. EINECS: N/A
    7. Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
    8. Mol File: 157893-14-6.mol
  • Chemical Properties

    1. Melting Point: 190-191 °C(Solv: ethanol (64-17-5))
    2. Boiling Point: 338.8 °C at 760 mmHg
    3. Flash Point: 158.7 °C
    4. Appearance: /
    5. Density: 1.625 g/cm3
    6. Vapor Pressure: 3.74E-05mmHg at 25°C
    7. Refractive Index: 1.583
    8. Storage Temp.: Room temperature.
    9. Solubility: N/A
    10. PKA: 3.69±0.10(Predicted)
    11. CAS DataBase Reference: 3-BROMO-5-METHOXYBENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-BROMO-5-METHOXYBENZOIC ACID(157893-14-6)
    13. EPA Substance Registry System: 3-BROMO-5-METHOXYBENZOIC ACID(157893-14-6)
  • 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: 157893-14-6(Hazardous Substances Data)

157893-14-6 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-5-methoxybenzoic acid is utilized as an intermediate in the synthesis of various pharmaceuticals. Its presence in the molecular structure of target compounds contributes to their therapeutic properties, making it an essential component in drug development.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Bromo-5-methoxybenzoic acid serves as a key intermediate in the production of agrochemicals. Its integration into the molecular frameworks of these chemicals enhances their effectiveness in agricultural applications, such as pest control and crop protection.
Used in Chemical Industry:
3-Bromo-5-methoxybenzoic acid is employed as a building block in the chemical industry for the production of a variety of organic compounds. Its structural features facilitate the formation of complex molecules, which are vital for numerous chemical processes and end products.
Overall, 3-Bromo-5-methoxybenzoic acid's diverse applications in different industries underscore its importance as a chemical intermediate and building block, highlighting its role in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 157893-14-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,7,8,9 and 3 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 157893-14:
(8*1)+(7*5)+(6*7)+(5*8)+(4*9)+(3*3)+(2*1)+(1*4)=176
176 % 10 = 6
So 157893-14-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H7BrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)

157893-14-6 Well-known Company Product Price

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  • Alfa Aesar

  • (H32635)  3-Bromo-5-methoxybenzoic acid, 98%   

  • 157893-14-6

  • 1g

  • 926.0CNY

  • Detail
  • Alfa Aesar

  • (H32635)  3-Bromo-5-methoxybenzoic acid, 98%   

  • 157893-14-6

  • 5g

  • 3103.0CNY

  • Detail

157893-14-6SDS

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 3-Bromo-5-methoxybenzoic acid

1.2 Other means of identification

Product number -
Other names 3-Bromo-5-Methoxybenzoic 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:157893-14-6 SDS

157893-14-6Relevant articles and documents

Synthesis of novel benzbromarone derivatives designed to avoid metabolic activation

Ohe, Tomoyuki,Umezawa, Ryutaro,Kitagawara, Yumina,Yasuda, Daisuke,Takahashi, Kyoko,Nakamura, Shigeo,Abe, Akiko,Sekine, Shuichi,Ito, Kousei,Okunushi, Kentaro,Morio, Hanae,Furihata, Tomomi,Anzai, Naohiko,Mashino, Tadahiko

supporting information, p. 3708 - 3711 (2018/11/02)

We synthesized six novel BBR derivatives that were designed to avoid metabolic activation via ipso-substitution and evaluated for their degree of toxicity and hURAT1 inhibition. It was found that all of the derivatives demonstrate lower cytotoxicity in mouse hepatocytes and lower levels of metabolic activation than BBR, while maintaining their inhibitory activity toward the uric acid transporter. We propose that these derivatives could serve as effective uricosuric agents that have much better safety profiles than BBR.

Bifunctional organocatalysts for the asymmetric synthesis of axially chiral benzamides

Miyaji, Ryota,Wada, Yuuki,Matsumoto, Akira,Asano, Keisuke,Matsubara, Seijiro

supporting information, p. 1518 - 1523 (2017/08/14)

Bifunctional organocatalysts bearing amino and urea functional groups in a chiral molecular skeleton were applied to the enantioselective synthesis of axially chiral benzamides via aromatic electrophilic bromination. The results demonstrate the versatilit

COMBINATION THERAPIES FOR TREATMENT OF CANCER

-

, (2016/04/09)

Combination therapies for treatment of cancers associated with mutations in the KRAS gene are provided. Compositions comprising therapeutic agents for treatment of cancers associated with mutations in the KRAS gene are also provided.

Use of Inhibitors of the Activity or Function of PI3K

-

Paragraph 0869-0870, (2016/01/09)

The invention relates to new uses of PI3K inhibitors, wherein said inhibitors have an inhibitory action on the PI3K isoform delta for the treatment of immunopathology in a subject suffering from a disease or disorder selected from malaria, leishmaniasis, trypanosomiasis, toxoplasmosis and/or neurocysticercosis, via functional inhibition of TLR9 of the infected subject.

COVALENT INHIBITORS OF KRAS G12C

-

, (2014/09/30)

Irreversible inhibitors of G12C mutant K-Ras protein are provided. Also disclosed are methods to modulate the activity of G12C mutant K-Ras protein and methods of treatment of disorders mediated by G12C mutant K-Ras protein.

QUINAZOLINE DERIVATIVES AS PI3K MODULATORS

-

Page/Page column 52-53, (2013/05/09)

The invention relates to substituted quinazoline derivative of the formula (I), wherein A, X1, X2, X3, X4 and R5 are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of the PI3K enzymes.

Use of inhibitors of the activity or function of PI3K

-

Page/Page column 99, (2013/07/05)

The invention relates to new uses of PI3K inhibitors, wherein said inhibitors have an inhibitory action on the PI3K isoform delta for the treatment of immunopathology in a subject suffering from a disease or disorder selected from malaria, leishmaniasis, trypanosomiasis, toxoplasmosis and/or neurocysticercosis, via functional inhibition of TLR9 of the infected subject.

AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF

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Page/Page column 109-110, (2009/10/22)

Compounds are provided according to formula (1 ) : where A, B, W, X', L, R1, R3, R4b, and m' are as defined herein. Provided compounds and pharmaceutical compositions thereof are useful for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, cognitive disorders, anxiety, depression, and others.

DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS

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, (2009/10/09)

The present invention is directed to novel compounds of Formula's (I) - (VI), and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use in therapy, for example as inhibitors of phosphodiesterase type IV (PDE4) and as antagonists of muscarinic acetylcholine receptors (mAChRs), in the treatment of and/or prophylaxis of respiratory diseases, including inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rhinitis (e.g. allergic rhinitis), atopic dermatitis or psoriasis.

Dual Pharmacophores - PDE4-Muscarinic Antagonistics

-

Page/Page column 50, (2009/08/18)

The present invention is directed to novel compounds of Formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use as dual chromaphores having inhibitory activity against PDE4 and muscarinic acetylcholine receptors (mAChRs), and thus being useful for treating respiratory diseases.

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