1,2-Bis(4-fluorophenyl)-2-hydroxyethanone - ≥95% , CAS No.53458-16-5

CAS: 53458-16-5 Cat. No.: B695437 Número CE: 258-565-6 PubChem CID: 103786
Disponível para encomenda
GRADE & PURITY ≥95%
Storage
Room temperature
★
Size
USA
Alemanha (EU)*
Price
Qty
100mg
B695437-100mg
Sob encomenda · 8–12 semanas

305,90US$

356,90US$
Gravar 51,00 US$ (14.29%)
250mg
B695437-250mg
Sob encomenda · 8–12 semanas

610,90US$

712,90US$
Gravar 102,00 US$ (14.31%)
Enter a quantity for the sizes you want to add.
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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 canónicosC1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)F)O)F
IUPAC Name1,2-bis(4-fluorophenyl)-2-hydroxyethanone
InChIKeyVGZHWXAFILGMSR-UHFFFAOYSA-N
INCHI1S/C14H10F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13,17H
SMILES isoméricas C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)F)O)F
CAS alternativo 53458-16-5
PubChem CID 103786

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

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClasseStilbenes
SubclassBenzoins
Intermediate Tree Nodes Not available
Direct ParentBenzoins
Alternative Parents Alkyl-phenylketones  Benzoyl derivatives  Aryl alkyl ketones  Fluorobenzenes  Aryl fluorides  Acyloins  Alpha-hydroxy ketones  Secondary alcohols  Organofluorides  Organic oxides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Fluorobenzene - Halobenzene - Acyloin - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular248.220 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass248.065 Da
Monoisotopic Mass248.065 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count18
Formal Charge0
Complexity280.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

What is the purity of this product?
This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 53458-16-5. InChIKey VGZHWXAFILGMSR-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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