3,4'-Oxydiphthalic Anhydride(α-ODPA) - ≥98% , CAS No.50662-95-8

CAS: 50662-95-8 Cat. No.: O160012 Peso molecular: 310.22 Número EC: 805-890-1

GRADE & PURITY ≥98%

Synonyms

O0384 | SCHEMBL263838 | 4-[(1,3-Dihydro-1,3-dioxo-5-isobenzofuranyl)oxy]-1,3-isobenzofurandione;3,4'-Oxydiphthalic Anhydride | 3,4'-OxydiphthalicAnhydride | 4-((1,3-Dioxo-1,3-dihydroisobenzo[b]furan-5-yl)oxy)isobenzo[b]furan-1,3-dione | AS-72795 | 2,3,3',

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

O0384 | SCHEMBL263838 | 4-[(1, 3-Dihydro-1, 3-dioxo-5-isobenzofuranyl)oxy]-1, 3-isobenzofurandione;3, 4'-Oxydiphthalic Anhydride | 3, 4'-OxydiphthalicAnhydride | 4-((1, 3-Dioxo-1, 3-dihydroisobenzo[b]furan-5-yl)oxy)isobenzo[b]furan-1, 3-dione | AS-72795 | 2, 3, 3',

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767672
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767672
• Sonrisas canónicas: C1=CC2=C(C(=C1)OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
• IUPAC Name: 4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
• InChIKey: OPVHOFITDJSMOD-UHFFFAOYSA-N
• INCHI: 1S/C16H6O7/c17-13-8-5-4-7(6-10(8)15(19)22-13)21-11-3-1-2-9-12(11)16(20)23-14(9)18/h1-6H
• Isómeros SMILES: C1=CC2=C(C(=C1)OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
• Peso molecular: 310.22
• Reaxy-Rn: 11529230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11529230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Diarylethers Isobenzofuranones Phenol ethers Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Phthalic_anhydride - Phthalic anhydride - Isobenzofuranone - Isocoumaran - Phenol ether - Benzenoid - Carboxylic acid anhydride - Oxacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
• 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: air sensitive ；heat sensitive
• Punto de fusión (°C): 180℃
• Peso molecular: 310.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 310.011 Da
• Monoisotopic Mass: 310.011 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 583.000
• 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