Ethyl diphenylacetate - ≥96% , CAS No.3468-99-3

CAS: 3468-99-3 Cat. No.: E303498 Formule: C₁₆H₁₆O₂ Poids moléculaire: 240.3 Numéro CE: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

Pubchem Sid

508811796

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point d'ébullition (°C): 343.02℃ (rough estimate)
• Point de fusion (°C): 170-171℃
• Poids moléculaire: 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