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Home/Compounds/CAS 586-76-5
Formula C7H5BrO2MW 201.02Research-use catalog entryCOA/SDS by request

4-Bromobenzoic acid

CAS Number: 586-76-5

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Purity
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Loading RDKit molecule structure...
InChIKey: TUXYZHVUPGXXQG-UHFFFAOYSA-NC7H5BrO2 | MW 201.02

Chemical Absolute Identifiers

CAS Number

586-76-5

PubChem CID

11464

Molecular Formula

C7H5BrO2

Molecular Weight

201.02 g/mol

Exact Mass

199.94729

InChIKey

TUXYZHVUPGXXQG-UHFFFAOYSA-N

SMILES String

C1=CC(=CC=C1C(=O)O)Br

Physical Properties

Appearance

4-bromobenzoic acid appears as colorless to red crystals. (NTP, 1992)

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

4-Bromobenzoic acid (CAS 586-76-5) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C7H5BrO2 and molecular weight 201. 02 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

4-Bromobenzoic acid

Names & Synonyms

P-BROMOBENZOIC ACIDBenzoic acid, 4-bromo-p-Carboxybromobenzenep-Bromobenzenecarboxylic acidBenzoic acid, p-bromo-
Show all synonyms
4-Brom-benzoesaeure4-carboxybromobenzene4-bromobenzenecarboxylic acidBROMOBENZOIC ACID, P-4-BROMOBENZOIC ACID [MI]4-09-00-01017 (Beilstein Handbook Reference)4bromobenzoic acidpCarboxybromobenzeneBenzoic acid, pbromoBenzoic acid, 4bromopBromobenzenecarboxylic acidBENZOIC ACID, 4-BROMO-(9CI)4-Bromobenzoicacid4-Bromobenzoic aicd4-Bromo-benzoic acid
External Identifiers
EC NUMBER: 209-581-7DSSTOX SUBSTANCE ID: DTXSID7060413CHEMBL ID: CHEMBL22051CHEBI ID: CHEBI:60698UNII: 6992P6102OMETABOLOMICS WORKBENCH ID: 61232WIKIDATA ID: Q18472729
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR SpectraRaman Spectra — Bio-Rad Laboratories
Literature & Patent References
DOI 10.1021/jm950589qComparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.PMID 8667357Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.DOI 10.1021/jm00072a012QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods.PMID 8411009QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods.DOI 10.1021/jm00096a014Energy aspects of oil/water partition leading to the novel hydrophobic parameters for the analysis of quantitative structure-activity relationships.PMID 1527790Energy aspects of oil/water partition leading to the novel hydrophobic parameters for the analysis of quantitative structure-activity relationships.DOI 10.1021/jm00363a006Ion-sensitive electrode potentiometry of organic anions: application to quantitative structure-activity relationships.PMID 6887198Ion-sensitive electrode potentiometry of organic anions: application to quantitative structure-activity relationships.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 586-76-5

What are the key identifiers for 4-Bromobenzoic acid (CAS 586-76-5)?

4-Bromobenzoic acid is identified by CAS 586-76-5, with molecular formula C7H5BrO2, molecular weight 201.02, InChIKey TUXYZHVUPGXXQG-UHFFFAOYSA-N.

Can I request a COA for CAS 586-76-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 4-Bromobenzoic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 586-76-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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