(+)-trans-1,2-Cyclohexanedicarboxylic Anhydride - ≥98%(GC) , CAS No.71749-03-6

CAS: 71749-03-6 Cat. No.: T161606 Molecular Weight: 154.17 Beilstein Registry Number: 17(5)11,76 EC Number: 679-655-5

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00674194 | trans-1,2-Cyclohexanedicarboxylic anhydride | (3aR,7aR)-hexahydro-2-benzofuran-1,3-dione | 1,3-Isobenzofurandione, hexahydro-, (3aR,7aR)- | trans-Hexahydroisobenzofuran-1,3-dione | (+)-trans-1,2-Cyclohexanedicarboxylic Anhydride | AKOS01583

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD00674194 | trans-1, 2-Cyclohexanedicarboxylic anhydride | (3aR, 7aR)-hexahydro-2-benzofuran-1, 3-dione | 1, 3-Isobenzofurandione, hexahydro-, (3aR, 7aR)- | trans-Hexahydroisobenzofuran-1, 3-dione | (+)-trans-1, 2-Cyclohexanedicarboxylic Anhydride | AKOS01583

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1CCC2C(C1)C(=O)OC2=O
• IUPAC Name: (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
• InChIKey: MUTGBJKUEZFXGO-PHDIDXHHSA-N
• INCHI: 1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m1/s1
• Isomeric SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)OC2=O
• Molecular Weight: 154.17
• Beilstein: 17(5)11,76
• Reaxy-Rn: 83213
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isobenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isobenzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isobenzofurans
• Alternative Parents: Dicarboxylic acids and derivatives Oxolanes Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Isobenzofuran - Dicarboxylic acid or derivatives - Oxolane - Carboxylic acid anhydride - Lactone - Oxacycle - Carboxylic acid derivative - 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 isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
• 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: Soluble in Dioxane
• Sensitivity: Moisture Sensitive
• Specific Rotation[α]: 85° (C=1,Dioxane)
• Melt Point(°C): 165 °C
• Molecular Weight: 154.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

References

1. Miao Yuan, Yi Zhang, Fei Xie, Hui Yang, Carla Bittencourt, Rony Snyders, Wenjiang Li.  (2025)  Nano copper-modified GO and CNTs for enhanced the epoxy resin composite thermal properties.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.162616]