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Home/Compounds/CAS 91-64-5
Formula C9H6O2MW 146.14Research-use catalog entryCOA/SDS by request

Coumarin

CAS Number: 91-64-5

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10 g
Purity
99+%
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100 g
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Loading RDKit molecule structure...
InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-NC9H6O2 | MW 146.14

Chemical Absolute Identifiers

CAS Number

91-64-5

PubChem CID

323

Molecular Formula

C9H6O2

Molecular Weight

146.14 g/mol

Exact Mass

146.036779

InChIKey

ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

IUPAC Name

chromen-2-one

SMILES String

C1=CC=C2C(=C1)C=CC(=O)O2

Physical Properties

Appearance

Coumarin appears as colorless crystals, flakes or colorless to white powder with a pleasant fragrant vanilla odor and a bitter aromatic burning taste. (NTP, 1992)

Melting Point

67.78–71 °C

Boiling Point

301.7 °C

Flash Point

150.0 °C

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

Catalog Facts

Structural features

Coumarin (CAS 91-64-5) is listed in the Advanced Chemicals portfolio, with molecular formula C9H6O2 and molecular weight 146. 14 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.

Documentation needs

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

Applications & Classification

Heterocyclic Building BlocksSynthetic 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: Sclerostin (Homo sapiens) — 2 assays; Carbonic anhydrase 1 (Homo sapiens) — 10 assays; Carbonic anhydrase 4 (Homo sapiens) — 2 assays; Carbonic anhydrase 12 (Homo sapiens) — 4 assays; Carbonic anhydrase 2 (Homo sapiens) — 9 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Sclerostin

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.64

Experimental evidence source: ChEMBL

Carbonic anhydrase 1

Homo sapiens · SINGLE PROTEIN · 10 qualifying assays · 10 documents · best pChEMBL 5.51

Experimental evidence source: ChEMBL

Carbonic anhydrase 4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.17

Experimental evidence source: ChEMBL

Carbonic anhydrase 12

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 5.05

Experimental evidence source: ChEMBL

Carbonic anhydrase 2

Homo sapiens · SINGLE PROTEIN · 9 qualifying assays · 9 documents · best pChEMBL 5.04

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

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Coumarin

Names & Synonyms

2H-Chromen-2-one2H-1-Benzopyran-2-onecumarin1,2-BenzopyroneTonka bean camphor
Show all synonyms
RattexCoumarinic anhydrideCoumarinecis-o-Coumarinic acid lactoneCoumarinic lactoneo-Hydroxycinnamic acid lactoneBenzo-alpha-pyrone5,6-Benzo-2-pyroneo-Hydroxycinnamic lactone2-Oxo-1,2-benzopyranKumarin2H-Benzo(b)pyran-2-one2H-1-Benzopyran, 2-oxo-5,6-Benzo-alpha-pyrone
External Identifiers
EC NUMBER: 202-086-7DSSTOX SUBSTANCE ID: DTXSID7020348CHEMBL ID: CHEMBL6466CHEBI ID: CHEBI:28794UNII: A4VZ22K1WTDRUGBANK ID: DB04665HMDB ID: HMDB0001218ICSC NUMBER: 1105KEGG ID: C05851KEGG ID: D07751METABOLOMICS WORKBENCH ID: 37669NCI THESAURUS CODE: C397PHARMGKB ID: PA134521193RXCUI: 2898WIKIDATA ID: Q111812WIKIDATA ID: Q72445604chromen-2-one
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR SpectraFTIR Spectra — Forensic Spectral ResearchRaman Spectra — Bio-Rad Laboratories, Inc.UV-VIS SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2024.116414Discovery of the small molecular inhibitors against sclerostin loop3 as potential anti-osteoporosis agents by structural based virtual screening and molecular design.PMID 38677061Discovery of the small molecular inhibitors against sclerostin loop3 as potential anti-osteoporosis agents by structural based virtual screening and molecular design.DOI 10.1021/acs.jmedchem.3c01254Developing Novel Coumarin-Containing Azoles Antifungal Agents by the Scaffold Merging Strategy for Treating Azole-Resistant Candidiasis.DOI 10.1021/acsmedchemlett.2c00302Synthesis of Novel Kidney-Type Glutaminase Allosteric Inhibitors Targeting the Critical Lys-320 Residue.PMID 36655131Synthesis of Novel Kidney-Type Glutaminase Allosteric Inhibitors Targeting the Critical Lys-320 Residue.PMID 37725043Developing Novel Coumarin-Containing Azoles Antifungal Agents by the Scaffold Merging Strategy for Treating Azole-Resistant Candidiasis.DOI 10.1016/j.ejmech.2022.114164Synthesis and antiviral activities of quinazolinamine-coumarin conjugates toward chikungunya and hepatitis C viruses.PMID 35176562Synthesis and antiviral activities of quinazolinamine-coumarin conjugates toward chikungunya and hepatitis C viruses.

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.

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RFQ questions for CAS 91-64-5

What are the key identifiers for Coumarin (CAS 91-64-5)?

Coumarin is identified by CAS 91-64-5, with molecular formula C9H6O2, molecular weight 146.14, InChIKey ZYGHJZDHTFUPRJ-UHFFFAOYSA-N.

Does CAS 91-64-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Sclerostin, Carbonic anhydrase 1, Carbonic anhydrase 4, Carbonic anhydrase 12, Carbonic anhydrase 2. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 91-64-5?

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

Can I request supplier SDS for Coumarin?

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

Is CAS 91-64-5 available for quotation?

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

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