Coumarin 314 - ≥98%(HPLC) , CAS No.55804-66-5

Name: Coumarin 314 - ≥98%(HPLC) , CAS No.55804-66-5
SKU: C153962
Availability: InStock

CAS: 55804-66-5 Cat. No.: C153962 Fórmula: C₁₈H₁₉NO₄ Peso molecular: 313.35

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Coumarin 314 - ≥98%(HPLC) CAS No(55804-66-5) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%(HPLC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Calculadoras de soluciones Reseñas

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Why this grade

≥98%(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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid

488184697

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184697

Sonrisas canónicas

CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3

IUPAC Name

ethyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate

InChIKey

VMJKUPWQKZFFCX-UHFFFAOYSA-N

INCHI

1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3

Isómeros SMILES

CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3

Peso molecular

313.35

Reaxy-Rn

5123844

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5123844&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.

Look up COA →

📊 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

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Clase Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Clase	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Hydroquinolines Dialkylarylamines Pyranones and derivatives Aralkylamines Benzenoids Heteroaromatic compounds Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Descripción	This 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	ethyl ester - 7-aminocoumarins
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
L1803270	Certificate of Analysis	Jun 11, 2026	C153962
E2211132	Certificate of Analysis	Feb 04, 2026	C153962
E2211133	Certificate of Analysis	Feb 04, 2026	C153962
E2211140	Certificate of Analysis	Feb 04, 2026	C153962
E2211148	Certificate of Analysis	Feb 04, 2026	C153962
J2524153	Certificate of Analysis	Nov 06, 2025	C153962
I2420172	Certificate of Analysis	Mar 09, 2022	C153962

Punto de fusión (°C)	150 °C
Peso molecular	313.300 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	313.131 Da
Monoisotopic Mass	313.131 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	543.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Coumarin 314 - ≥98%(HPLC) , CAS No.55804-66-5

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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Reseñas de cliente

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