Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone（HBPDA） - ≥95% , CAS No.122640-83-9

CAS: 122640-83-9 Cat. No.: D302658 Peso molecular: 306.31 Número EC: 878-579-1

GRADE & PURITY ≥95%

Synonyms

SY244716 | Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride | MFCD23134595 | A855168 | C16H18O6 | D5723 | Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone | DS-3327 | AKOS030228075 | Dodecahydro-[5,5 inverted exclamation mark -biisobenzofuran]-1,1

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SY244716 | Dicyclohexyl-3, 4, 3', 4'-tetracarboxylic dianhydride | MFCD23134595 | A855168 | C16H18O6 | D5723 | Dodecahydro-[5, 5'-biisobenzofuran]-1, 1', 3, 3'-tetraone | DS-3327 | AKOS030228075 | Dodecahydro-[5, 5 inverted exclamation mark -biisobenzofuran]-1, 1

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504765972
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765972
• Sonrisas canónicas: C1CC2C(CC1C3CCC4C(C3)C(=O)OC4=O)C(=O)OC2=O
• IUPAC Name: 5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
• InChIKey: SNHKMHUMILUWSJ-UHFFFAOYSA-N
• INCHI: 1S/C16H18O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h7-12H,1-6H2
• Isómeros SMILES: C1CC2C(CC1C3CCC4C(C3)C(=O)OC4=O)C(=O)OC2=O
• Peso molecular: 306.31
• Reaxy-Rn: 11504103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11504103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Isobenzofurans Oxolanes Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Isobenzofuran - Oxolane - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl 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): 544.0±50.0°C at 760 mmHg
• Punto de fusión (°C): 208 °C
• Peso molecular: 306.310 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 306.11 Da
• Monoisotopic Mass: 306.11 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 517.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1