6-Bromochroman-2-one - ≥94% , CAS No.20921-00-0

CAS: 20921-00-0 Cat. No.: B302764 Peso molecular: 227.05

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6-Bromochroman-2-one - ≥94% CAS No(20921-00-0) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥94%

Synonyms

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

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 Calculadoras de soluciones Reseñas

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Why this grade

≥94% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads 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

Sinónimos

Especificaciones y pureza

≥94%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥94%

Nombres e identificadores

Pubchem Sid	504758223
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758223
Sonrisas canónicas	C1CC(=O)OC2=C1C=C(C=C2)Br
IUPAC Name	6-bromo-3,4-dihydrochromen-2-one
InChIKey	FFZQWUVOIMYRKC-UHFFFAOYSA-N
INCHI	1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2
Isómeros SMILES	C1CC(=O)OC2=C1C=C(C=C2)Br
Peso molecular	227.05
Reaxy-Rn	136080
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136080&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.

View datasheet →

🔬 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 3,4-dihydrocoumarins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Clase	3,4-dihydrocoumarins
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	3,4-dihydrocoumarins
Alternative Parents	1-benzopyrans Benzenoids Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Aryl bromide - Aryl halide - Benzenoid - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors	Not available
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
J2113409	Certificate of Analysis	Aug 08, 2024	B302764
J2113410	Certificate of Analysis	Aug 08, 2024	B302764
J2113411	Certificate of Analysis	Aug 08, 2024	B302764
J2113412	Certificate of Analysis	Aug 08, 2024	B302764
L2417208	Certificate of Analysis	Aug 08, 2024	B302764

Punto de ebullición (°C)	329.5°C at 760 mmHg
Peso molecular	227.050 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	225.963 Da
Monoisotopic Mass	225.963 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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