Ethyl 2-Fluoro-4-(methylsulfonyl)benzoate - ≥95% , CAS No.1354940-65-0

CAS: 1354940-65-0 Cat. No.: E735083 Summenformel: C₁₀H₁₁FO₄S Molekulargewicht: 246.26 PubChem CID: 74889507

QUALITÄT & REINHEIT ≥95%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spezifikationen

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1=C(C=C(C=C1)S(=O)(=O)C)F

IUPAC Name

ethyl 2-fluoro-4-methylsulfonylbenzoate

InChIKey

JEGVAJVWNFGOCE-UHFFFAOYSA-N

INCHI

1S/C10H11FO4S/c1-3-15-10(12)8-5-4-7(6-9(8)11)16(2,13)14/h4-6H,3H2,1-2H3

Isomere SMILES

CCOC(=O)C1=C(C=C(C=C1)S(=O)(=O)C)F

PubChem CID

74889507

Molekulargewicht

246.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 2-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Sulfones Carboxylic acid esters Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 246.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 246.036 Da
• Monoisotopic Mass: 246.036 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 346.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1354940-65-0, the molecular formula is C10H11FO4S, and the molecular weight is 246.26 g/mol. InChIKey JEGVAJVWNFGOCE-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.