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Home/Compounds/CAS 13331-27-6
Formula C6H6BNO4MW 166.93Research-use catalog entryCOA/SDS by request

3-Nitrophenylboronic Acid

CAS Number: 13331-27-6

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Loading RDKit molecule structure...
InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-NC6H6BNO4 | MW 166.93

Chemical Absolute Identifiers

CAS Number

13331-27-6

PubChem CID

1677

Molecular Formula

C6H6BNO4

Molecular Weight

166.93 g/mol

Exact Mass

167.038988

InChIKey

ZNRGSYUVFVNSAW-UHFFFAOYSA-N

IUPAC Name

(3-nitrophenyl)boronic acid

SMILES String

B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O

Physical Properties

No physical property values available.

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

Catalog Facts

Structural features

3-Nitrophenylboronic Acid (CAS 13331-27-6) is listed in the Advanced Chemicals portfolio, with molecular formula C6H6BNO4 and molecular weight 166. 93 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure.

Documentation needs

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

Applications & Classification

Boronic Acids and EstersSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Beta-lactamase (Escherichia coli K-12) — 3 assays; Subtilisin BL (Bacillus lentus) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Beta-lactamase

Escherichia coli K-12 · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 5.77

Experimental evidence source: ChEMBL

Subtilisin BL

Bacillus lentus · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.82

Experimental evidence source: ChEMBL

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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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

3-Nitrophenylboronic Acid

Names & Synonyms

3-Nitrobenzeneboronic acidBoronic acid, (3-nitrophenyl)-Boronic acid, B-(3-nitrophenyl)-m-Nitrobenzeneboronic acidMeta-nitrobenzeneboronic acid
Show all synonyms
m-Nitrophenylboronic acidBenzeneboronic acid, m-nitro-3-Nitrophenyl boronic acid3-nitro-phenyl boronic aciddihydroxy(3-nitrophenyl)borane3-Nitrophenylboronicacidm-nitophenyl boronic acid3-nitropenyl boronic acidm-nitrophenyl boronic acid3(nitrophenyl)boronic acid3-nitro-phenylboronic acid3-nitrophenyl-boronic acidmeta-nitrophenylboronic acid3-nitrobenzene boronic acid
External Identifiers
EC NUMBER: 603-734-5DSSTOX SUBSTANCE ID: DTXSID2065416CHEMBL ID: CHEMBL20945UNII: JLC765W4PNDRUGBANK ID: DB02797METABOLOMICS WORKBENCH ID: 147352WIKIDATA ID: Q27093741
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR Spectra — Bio-Rad Laboratories, Inc.Raman Spectra — Bio-Rad LaboratoriesUV-VIS Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2022.114571Triazole-substituted phenylboronic acids as tunable lead inhibitors of KPC-2 antibiotic resistance.PMID 35792385Triazole-substituted phenylboronic acids as tunable lead inhibitors of KPC-2 antibiotic resistance.DOI 10.1016/j.bmc.2018.04.055Boronic acid inhibitors of the class A β-lactamase KPC-2.PMID 29784271Boronic acid inhibitors of the class A β-lactamase KPC-2.DOI 10.1016/j.bmcl.2010.04.007Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.PMID 20452208Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.DOI 10.1021/jm9009718Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.PMID 19731939Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.

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

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Non-public related references

(4-Hydroxy-3-nitrophenyl)boronic acidCAS 850568-75-1
4-Nitro-2-(trifluoromethyl)phenylboronic acidCAS 408359-15-9
(3-(((Benzyloxy)carbonyl)amino)-5-nitrophenyl)boronic acidCAS 874219-56-4
(2-Nitrophenyl)boronic acidCAS 5570-19-4
(3-Boronophenyl)methylazanium;chlorideCAS 352525-94-1

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 850568-75-1(4-Hydroxy-3-nitrophenyl)boronic acidCAS 408359-15-94-Nitro-2-(trifluoromethyl)phenylboronic acidCAS 874219-56-4(3-(((Benzyloxy)carbonyl)amino)-5-nitrophenyl)boronic acidCAS 5570-19-4(2-Nitrophenyl)boronic acidCAS 352525-94-1(3-Boronophenyl)methylazanium;chlorideCAS 68716-48-33-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzeneCAS 98-80-6Phenylboronic AcidCAS 162607-18-35-Chlorothiophene-2-boronic acidCAS 4151-80-84,4'-Biphenyldiboronic AcidCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate

RFQ questions for CAS 13331-27-6

What are the key identifiers for 3-Nitrophenylboronic Acid (CAS 13331-27-6)?

3-Nitrophenylboronic Acid is identified by CAS 13331-27-6, with molecular formula C6H6BNO4, molecular weight 166.93, InChIKey ZNRGSYUVFVNSAW-UHFFFAOYSA-N.

Does CAS 13331-27-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Beta-lactamase, Subtilisin BL. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 13331-27-6?

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

Can I request supplier SDS for 3-Nitrophenylboronic Acid?

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

Is CAS 13331-27-6 available for quotation?

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