Fraxinellone - ≥98% , CAS No.28808-62-0

CAS: 28808-62-0 Cat. No.: F405738 Peso molecular: 232.28 Número EC: 683-158-9

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Fraxinellone - ≥98% CAS No(28808-62-0) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥98%

Nombres e identificadores

Pubchem Sid	504756960
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756960
Sonrisas canónicas	CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3
IUPAC Name	(3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
InChIKey	XYYAFLHHHZVPRN-GXTWGEPZSA-N
INCHI	1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
Isómeros SMILES	CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)C3=COC=C3
RTECS	TI3767000
Número ONU	2811
Grupo de embalaje	III
Peso molecular	232.28
Reaxy-Rn	209470
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=209470&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 Organoheterocyclic compounds
  - Clase Isobenzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Isobenzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isobenzofurans
Alternative Parents	Gamma butyrolactones Tetrahydrofurans Heteroaromatic compounds Furans Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isobenzofuran - Gamma butyrolactone - Furan - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
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)

ACHN (49357 Activities)

Lot Number	Certificate Type	Fecha	Articulo
L22081019	Certificate of Analysis	Sep 09, 2025	F405738
L22081020	Certificate of Analysis	Sep 09, 2025	F405738
L22081021	Certificate of Analysis	Sep 09, 2025	F405738
L22081022	Certificate of Analysis	Sep 09, 2025	F405738

Sensibilidad	Heat Sensitive
Rotación específica [α]	-39° (C=1,CHCl3)
Punto de fusión (°C)	116 °C
Peso molecular	232.270 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	232.11 Da
Monoisotopic Mass	232.11 Da
Topological Polar Surface Area	39.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	385.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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