Ethyl 2-(2,4-difluorophenyl)-2,2-difluoroacetate - ≥97% , CAS No.1228957-05-8

CAS: 1228957-05-8 Cat. No.: E180468 Formule: C₁₀H₈F₄O₂ Poids moléculaire: 236.2

QUALITÉ & PURETÉ ≥97%

Synonyms

BS-14727 | AKOS012096282 | ETHYL 2-(2,4-DIFLUOROPHENYL)-2,2-DIFLUOROACETATE | 1228957-05-8 | Ethyl (2,4-difluorophenyl)(difluoro)acetate | SCHEMBL17157482 | Benzeneacetic acid, alpha,alpha,2,4-tetrafluoro-, ethyl ester | MFCD16618951 | Ethyl2-(2,4-difluor

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

BS-14727 | AKOS012096282 | ETHYL 2-(2,4-DIFLUOROPHENYL)-2,2-DIFLUOROACETATE | 1228957-05-8 | Ethyl (2,4-difluorophenyl)(difluoro)acetate | SCHEMBL17157482 | Benzeneacetic acid, alpha,alpha,2,4-tetrafluoro-, ethyl ester | MFCD16618951 | Ethyl2-(2,4-difluor

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

IUPAC Name

ethyl 2-(2,4-difluorophenyl)-2,2-difluoroacetate

InChIKey

YAKBPASPIJTDDM-UHFFFAOYSA-N

INCHI

1S/C10H8F4O2/c1-2-16-9(15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3

Isomères SMILES

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

Poids moléculaire

236.2

Reaxy-Rn

28927072

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28927072&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides 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: Fluorobenzene - Aryl fluoride - Aryl halide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 236.160 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 236.046 Da
• Monoisotopic Mass: 236.046 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 257.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% 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 1228957-05-8, the molecular formula is C10H8F4O2, and the molecular weight is 236.2 g/mol. InChIKey YAKBPASPIJTDDM-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.