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Elementi costitutivi
Elementi costitutivi fluorurati
1-((4-Fluorophenyl)thio)propan-2-one - ≥95% , CAS No.2968-13-0

1-((4-Fluorophenyl)thio)propan-2-one - ≥95% , CAS No.2968-13-0

Name: 1-((4-Fluorophenyl)thio)propan-2-one - ≥95% , CAS No.2968-13-0
SKU: T700091
Availability: InStock

CAS: 2968-13-0 Cat. No.: T700091 Formula: C₉H₉FOS Peso molecolare: 184.23 Numero EC: 681-693-2 PubChem CID: 2737496

COA

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1-((4-Fluorophenyl)thio)propan-2-one - ≥98% CAS No(2968-13-0) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY ≥95%

Synonyms

1-[(4-fluorophenyl)sulfanyl]acetone | (4-Fluorophenylthio)propan-2-one

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

🧪

Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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

Sinonimi

1-[(4-fluorophenyl)sulfanyl]acetone | (4-Fluorophenylthio)propan-2-one

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC(=O)CSC1=CC=C(C=C1)F

IUPAC Name

1-(4-fluorophenyl)sulfanylpropan-2-one

InChIKey

MKJQBSVPZYELIJ-UHFFFAOYSA-N

INCHI

1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

Isomeri SMILES

CC(=O)CSC1=CC=C(C=C1)F

PubChem CID

2737496

Peso molecolare

184.23

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.

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 Organosulfur compounds
  - Classe Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Classe	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Thiophenol ethers Fluorobenzenes Alkylarylthioethers Aryl fluorides Ketones Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Alkylarylthioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Sulfenyl compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Punto di ebollizione (°C)	100-103°/1mm
Peso molecolare	184.230 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	184.036 Da
Monoisotopic Mass	184.036 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153.000
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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