Ethyl 3,5-difluorobenzoylformate - ≥96% , CAS No.208259-57-8

CAS: 208259-57-8 Cat. No.: E340699 Formula: C₁₀H₈F₂O₃ Peso molecolare: 214.168 Numero EC: 675-602-5

GRADE & PURITY ≥96%

Synonyms

(3,5-difluorophenyl)oxoacetic acid ethyl ester | Ethyl 3,5-difluorobenzoylformate, 96% | E78036 | SCHEMBL2529911 | Benzeneacetic acid, 3,5-difluoro-alpha-oxo-, ethyl ester | ETHYL3,5-DIFLUOROBENZOYLFORMATE | J-013657 | JPTHBXHXKOKMTE-UHFFFAOYSA-N | ethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(3,5-difluorophenyl)oxoacetic acid ethyl ester | Ethyl 3,5-difluorobenzoylformate, 96% | E78036 | SCHEMBL2529911 | Benzeneacetic acid, 3,5-difluoro-alpha-oxo-, ethyl ester | ETHYL3,5-DIFLUOROBENZOYLFORMATE | J-013657 | JPTHBXHXKOKMTE-UHFFFAOYSA-N | ethyl

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

ethyl 2-(3,5-difluorophenyl)-2-oxoacetate

InChIKey

JPTHBXHXKOKMTE-UHFFFAOYSA-N

INCHI

1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3

Isomeri SMILES

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

Peso molecolare

214.168

Reaxy-Rn

10430921

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10430921&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Fluorobenzenes Aryl fluorides Alpha-keto acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Halobenzene - Fluorobenzene - Alpha-keto acid - Aryl fluoride - Aryl halide - Keto acid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 247.4° C (lit.)
• Peso molecolare: 214.160 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 214.044 Da
• Monoisotopic Mass: 214.044 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% 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 208259-57-8, the molecular formula is C10H8F2O3, and the molecular weight is 214.168 g/mol. InChIKey JPTHBXHXKOKMTE-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.