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Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]- , CAS No.112393-45-0

Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]- , CAS No.112393-45-0

Name: Ethanone, 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]- , CAS No.112393-45-0
SKU: E1286699
Availability: InStock

CAS: 112393-45-0 Cat. No.: E1286699 Formula: C₁₄H₁₀Cl₂O₃S Peso molecolare: 329.2 PubChem CID: 1473196

COA

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Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

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

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1C(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl

IUPAC Name

1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylethanone

InChIKey

ITYDKMOKHRLFIV-UHFFFAOYSA-N

INCHI

1S/C14H10Cl2O3S/c15-11-3-1-10(2-4-11)14(17)9-20(18,19)13-7-5-12(16)6-8-13/h1-8H,9H2

Isomeri SMILES

C1=CC(=CC=C1C(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl

PubChem CID

1473196

Peso molecolare

329.2

Documentazione

📋 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 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	Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Sulfones Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Sulfonyl - Sulfone - Organosulfur compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Descrizione	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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

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

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	329.200 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	327.973 Da
Monoisotopic Mass	327.973 Da
Topological Polar Surface Area	59.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	428.000
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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