Difenilacetato de etilo - ≥96% , CAS No.3468-99-3

CAS: 3468-99-3 Cat. No.: E303498 Fórmula: C₁₆H₁₆O₂ Peso molecular: 240.3 Número EC: 641-540-2

GRADE & PURITY ≥96%

Synonyms

ethyl (diphenyl)acetate | ethyl (diphenyl)-acetate | AS-65483 | AE-641/01931059 | WQ89QF16O3 | (E)-Ethyl 3-(3-((E)-2-(1,3-dioxoisoindolin-2-yl)vinyl)-5-(4-fluorobenzoyl)phenyl)acrylate | AC-18816 | AKOS003242149 | Benzeneacetic acid, .alpha.-phenyl-, ethy

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

ethyl (diphenyl)acetate | ethyl (diphenyl)-acetate | AS-65483 | AE-641/01931059 | WQ89QF16O3 | (E)-Ethyl 3-(3-((E)-2-(1,3-dioxoisoindolin-2-yl)vinyl)-5-(4-fluorobenzoyl)phenyl)acrylate | AC-18816 | AKOS003242149 | Benzeneacetic acid, .alpha.-phenyl-, ethy

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C,cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

508811796

Sonrisas canónicas

CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

IUPAC Name

ethyl 2,2-diphenylacetate

InChIKey

PYPHPZOQIVEWHN-UHFFFAOYSA-N

INCHI

1S/C16H16O2/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

Isómeros SMILES

CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

Peso molecular

240.3

Reaxy-Rn

1878377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1878377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 343.02℃ (rough estimate)
• Punto de fusión (°C): 170-171℃
• Peso molecular: 240.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115 Da
• Monoisotopic Mass: 240.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 232.000
• 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