Coumarin 525 - ≥97%(HPLC) , CAS No.87331-47-3

CAS: 87331-47-3 Cat. No.: C153974 Summenformel: C22H18N2O3 Molekulargewicht: 358.4
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GRADE & PURITY ≥97%(HPLC)
Synonyms
10-(Benzo[d]oxazol-2-yl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one | 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one,10-(2-benzoxazolyl)-2,3,6,7-tetrahydro- | DTXSID501122161 | C3047 | SCHEMBL15398201 | 5-(1,3-benzoxazol-2
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
50mg
C153974-50mg
—
3 Auf Lager
59,79€
200mg
C153974-200mg
—
2 Auf Lager
165,65€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
10-(Benzo[d]oxazol-2-yl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one | 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one,10-(2-benzoxazolyl)-2,3,6,7-tetrahydro- | DTXSID501122161 | C3047 | SCHEMBL15398201 | 5-(1,3-benzoxazol-2
Spezifikationen & Reinheit
≥97%(HPLC)
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥97%(HPLC)
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488191803
Kanonisches Lächeln
C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1
IUPAC Name
5-(1,3-benzoxazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
InChIKey
XYFLALJXCJWBPG-UHFFFAOYSA-N
INCHI
1S/C22H18N2O3/c25-22-16(21-23-17-7-1-2-8-18(17)26-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)27-22/h1-2,7-8,11-12H,3-6,9-10H2
Isomere SMILES
C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1
Molekulargewicht
358.4
Reaxy-Rn
9014666
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9014666&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
KlasseCoumarins and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarins and derivatives
Alternative Parents 1-benzopyrans  Hydroquinolines  Benzoxazoles  Dialkylarylamines  Pyranones and derivatives  Aralkylamines  Benzenoids  Oxazoles  Heteroaromatic compounds  Lactones  Azacyclic compounds  Oxacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Benzoxazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Aralkylamine - Pyran - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Lactone - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDatumArtikel
A2310521Certificate of AnalysisOct 09, 2026 C153974
L2203401Certificate of AnalysisSep 01, 2026 C153974
L2203424Certificate of AnalysisSep 01, 2026 C153974
L2205023Certificate of AnalysisSep 01, 2026 C153974
L2205025Certificate of AnalysisSep 01, 2026 C153974
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)278°C(lit.)
Molekulargewicht358.400 g/mol
XLogP34.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass358.132 Da
Monoisotopic Mass358.132 Da
Topological Polar Surface Area55.600 Ų
Heavy Atom Count27
Formal Charge0
Complexity649.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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