1,2,4,5-Cyclohexanetetracarboxylic Dianhydride - ≥98%(T) , CAS No.2754-41-8

CAS: 2754-41-8 Cat. No.: C153645 Molecular Weight: 224.17 Beilstein Registry Number: 19(4)2233 EC Number: 691-475-9

GRADE & PURITY ≥98%(T)

Synonyms

AMY11245 | C2419 | 1,2,4,5-Cyclohexanetetracarboxylic Dianhydride (purified by sublimation) | FT-0659314 | AS-31782 | C2919 | A843128 | 1,2,4,5-CyclohexanetetracarboxylicDianhydride | 1H,3H-Benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone, hexahydro- | Hexahydr

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY11245 | C2419 | 1, 2, 4, 5-Cyclohexanetetracarboxylic Dianhydride (purified by sublimation) | FT-0659314 | AS-31782 | C2919 | A843128 | 1, 2, 4, 5-CyclohexanetetracarboxylicDianhydride | 1H, 3H-Benzo[1, 2-c:4, 5-c']difuran-1, 3, 5, 7-tetrone, hexahydro- | Hexahydr

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504767645
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767645
• Canonical Smiles: C1C2C(CC3C1C(=O)OC3=O)C(=O)OC2=O
• IUPAC Name: 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
• InChIKey: LJMPOXUWPWEILS-UHFFFAOYSA-N
• INCHI: 1S/C10H8O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h3-6H,1-2H2
• Isomeric SMILES: C1C2C(CC3C1C(=O)OC3=O)C(=O)OC2=O
• Molecular Weight: 224.17
• Beilstein: 19(4)2233
• Reaxy-Rn: 262701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=262701&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Oxolanes Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Oxolane - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in Acetone almost transparency
• Sensitivity: Moisture sensitive
• Flash Point(°C): 238.6℃
• Boil Point(°C): 517.5±50.0 °C
• Melt Point(°C): 240°C(lit.)
• Molecular Weight: 224.170 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 224.032 Da
• Monoisotopic Mass: 224.032 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 349.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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