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Home/Compounds/CAS 53518-18-6
Formula C16H14F3NO2MW 309.28Research-use catalog entryCOA/SDS by request

Coumarin 153

CAS Number: 53518-18-6

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Loading RDKit molecule structure...
InChIKey: VSSSHNJONFTXHS-UHFFFAOYSA-NC16H14F3NO2 | MW 309.28

Chemical Absolute Identifiers

CAS Number

53518-18-6

PubChem CID

72652

Molecular Formula

C16H14F3NO2

Molecular Weight

309.28 g/mol

Exact Mass

309.097663

InChIKey

VSSSHNJONFTXHS-UHFFFAOYSA-N

IUPAC Name

6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one

SMILES String

C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(F)(F)F

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

Coumarin 153 (CAS 53518-18-6) is listed in the Advanced Chemicals portfolio, with molecular formula C16H14F3NO2 and molecular weight 309. 28 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.

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: Geminin (Homo sapiens) — 2 assays; Rap guanine nucleotide exchange factor 3 (Homo sapiens) — 2 assays; Tumor susceptibility gene 101 protein (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Geminin

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Rap guanine nucleotide exchange factor 3

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Tumor susceptibility gene 101 protein

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional institution with a waste disposal license to handle this substance.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

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 153

Names & Synonyms

Pilot 4952,3,6,7-Tetrahydro-9-(trifluoromethyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)-2,3,6,7-Tetrahydro-9-(trifluoromethyl)-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-one1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)-
Show all synonyms
K-153Coumarin153Coumarin 540aC 6FCoumarin 6fCoumarin 4959-(Trifluoromethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-oneCoumarin 153 (purified by sublimation)8-Trifluoromethyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one6-(TRIFLUOROMETHYL)-3-OXA-13-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),5,8-TETRAEN-4-ONE9-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-onetrifluoromethyl[?]onecid_72652
External Identifiers
EC NUMBER: 258-600-5DSSTOX SUBSTANCE ID: DTXSID0068864CHEMBL ID: CHEMBL1431610CHEBI ID: CHEBI:51773UNII: BC3BHZ527VWIKIDATA ID: Q27122740coumarin-153
Experimental Spectrum References
13C NMR Spectra1H NMR Spectra
Literature & Patent References
DOI 10.1016/j.bmcl.2015.01.047Design and discovery of 2-oxochromene derivatives as liver X receptor β-selective agonists.PMID 25677664Design and discovery of 2-oxochromene derivatives as liver X receptor β-selective agonists.

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

9-(2,2-Dicyanovinyl)julolidineCAS 58293-56-4
9-(2-Carboxy-2-cyanovinyl)julolidineCAS 142978-18-5
1-Ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolineCAS 2288709-48-6
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehydeCAS 493-50-5
1-Ethyl-6-fluoro-1,2,3,4-tetrahydroquinolineCAS 209336-49-2

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 2693-46-13-AminofluorantheneCAS 119413-54-6Topotecan HydrochlorideCAS 27425-55-4Coumarin 7CAS 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 53518-18-6

What are the key identifiers for Coumarin 153 (CAS 53518-18-6)?

Coumarin 153 is identified by CAS 53518-18-6, with molecular formula C16H14F3NO2, molecular weight 309.28, InChIKey VSSSHNJONFTXHS-UHFFFAOYSA-N.

Does CAS 53518-18-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Geminin, Rap guanine nucleotide exchange factor 3, Tumor susceptibility gene 101 protein. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 53518-18-6?

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

Can I request supplier SDS for Coumarin 153?

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

Is CAS 53518-18-6 available for quotation?

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

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