Phenoxyacetic Anhydride - ≥95% , CAS No.14316-61-1

CAS: 14316-61-1 Cat. No.: P160067 Peso molecular: 286.28 Beilstein Registry Number: 2002760 Número EC: 627-222-6 PubChem CID: 318938

GRADE & PURITY ≥95%

Synonyms

2-phenoxyacetyl 2-phenoxyacetate | Phenoxyacetic anhydride | A855328 | 2-Phenoxyacetic anhydride | J-523929 | NSC 259934 | Phenoxyacetic anhydride, >=97.0% (T) | Acetic acid, phenoxy-, anhydride | SCHEMBL264346 | FT-0742969 | (2-phenoxyacetyl) 2-phenoxyac

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-phenoxyacetyl 2-phenoxyacetate | Phenoxyacetic anhydride | A855328 | 2-Phenoxyacetic anhydride | J-523929 | NSC 259934 | Phenoxyacetic anhydride, >=97.0% (T) | Acetic acid, phenoxy-, anhydride | SCHEMBL264346 | FT-0742969 | (2-phenoxyacetyl) 2-phenoxyac

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504758460
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758460
• Sonrisas canónicas: C1=CC=C(C=C1)OCC(=O)OC(=O)COC2=CC=CC=C2
• IUPAC Name: (2-phenoxyacetyl) 2-phenoxyacetate
• InChIKey: CCSBNBKMACZDGN-UHFFFAOYSA-N
• INCHI: 1S/C16H14O5/c17-15(11-19-13-7-3-1-4-8-13)21-16(18)12-20-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)OCC(=O)OC(=O)COC2=CC=CC=C2
• WGK Alemania: 3
• PubChem CID: 318938
• Peso molecular: 286.28
• Beilstein: 2002760

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Ether - 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 phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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 fusión (°C): 73 °C
• Peso molecular: 286.280 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 286.084 Da
• Monoisotopic Mass: 286.084 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 298.000
• 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