Ethyl 2,2-difluoro-2-phenylacetate - ≥95% , CAS No.2248-46-6

CAS: 2248-46-6 Cat. No.: E182958 Fórmula: C₁₀H₁₀F₂O₂ Peso molecular: 200.19 Número CE: 630-730-0

GRADE & PURITY ≥95%

Synonyms

ethyl 2,2-difluoro-2-phenylacetate | (alpha,alpha-difluoro)phenylacetic acid ethyl ester | FT-0677979 | alpha,alpha-difluorophenylacetic acid ethyl ester | MFCD00864575 | SY038854 | Difluorophenylacetic acid ethyl ester | difluoro-phenyl-acetic acid ethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ethyl 2,2-difluoro-2-phenylacetate | (alpha,alpha-difluoro)phenylacetic acid ethyl ester | FT-0677979 | alpha,alpha-difluorophenylacetic acid ethyl ester | MFCD00864575 | SY038854 | Difluorophenylacetic acid ethyl ester | difluoro-phenyl-acetic acid ethyl

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488196752
• Sorrisos canónicos: CCOC(=O)C(C1=CC=CC=C1)(F)F
• IUPAC Name: ethyl 2,2-difluoro-2-phenylacetate
• InChIKey: KCMSDCHUELUJPX-UHFFFAOYSA-N
• INCHI: 1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
• SMILES isoméricas: CCOC(=O)C(C1=CC=CC=C1)(F)F
• Peso molecular: 200.19
• Reaxy-Rn: 3277834
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3277834&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriedades químicas e físicas

• Peso molecular: 200.180 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 200.065 Da
• Monoisotopic Mass: 200.065 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 198.000
• 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

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2248-46-6, the molecular formula is C10H10F2O2, and the molecular weight is 200.19 g/mol. InChIKey KCMSDCHUELUJPX-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.