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Ethyl 4-(2-fluorophenyl)-4-oxobutyrate - ≥95% , CAS No.898753-32-7

Ethyl 4-(2-fluorophenyl)-4-oxobutyrate - ≥95% , CAS No.898753-32-7

Name: Ethyl 4-(2-fluorophenyl)-4-oxobutyrate - ≥95% , CAS No.898753-32-7
SKU: E1008709
Availability: InStock

CAS: 898753-32-7 Cat. No.: E1008709 Fórmula: C₁₂H₁₃FO₃ Peso molecular: 224.23 PubChem CID: 24727405

COA

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Disponível para encomenda

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CCOC(=O)CCC(=O)C1=CC=CC=C1F

IUPAC Name

ethyl 4-(2-fluorophenyl)-4-oxobutanoate

InChIKey

NIHGNYNVGSYZIG-UHFFFAOYSA-N

INCHI

1S/C12H13FO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3

SMILES isoméricas

CCOC(=O)CCC(=O)C1=CC=CC=C1F

PubChem CID

24727405

Peso molecular

224.23

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 Organic oxygen compounds
  - Classe Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Fatty acid esters Aryl fluorides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Fatty acid ester - Fluorobenzene - Halobenzene - Keto acid - Aryl halide - Fatty acyl - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	224.230 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	224.085 Da
Monoisotopic Mass	224.085 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253.000
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

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Revisões

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