Tetrahydrophthalic anhydride（THPA） - ≥99% , CAS No.85-43-8

CAS: 85-43-8 Cat. No.: T195333 Molecular Weight: 152.14 EC Number: 201-605-4

GRADE & PURITY ≥99%

Synonyms

CAS-85-43-8 | 1,2,3,6-Tetrahydrophthalic anhydride | THPA | Tetrahydroftalanhydrid | Rikacid TH | 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione | 3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione | Tetrahydrophthalic acid anhydride | Tetrahydrophthalic anhydride

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

CAS-85-43-8 | 1, 2, 3, 6-Tetrahydrophthalic anhydride | THPA | Tetrahydroftalanhydrid | Rikacid TH | 3a, 4, 7, 7a-Tetrahydro-2-benzofuran-1, 3-dione | 3a, 4, 7, 7a-Tetrahydroisobenzofuran-1, 3-dione | Tetrahydrophthalic acid anhydride | Tetrahydrophthalic anhydride

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180163
• Canonical Smiles: C1C=CCC2C1C(=O)OC2=O
• IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
• InChIKey: KMOUUZVZFBCRAM-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
• Isomeric SMILES: C1C=CCC2C1C(=O)OC2=O
• Alternate CAS: 935-79-5
• UN Number: 1760
• Packing Group: I
• Molecular Weight: 152.14
• Reaxy-Rn: 82340
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82340&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 Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Isobenzofuran - Dicarboxylic acid or derivatives - Tetrahydrofuran - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in benzene and toluene; Slightly soluble in ether
• Sensitivity: Moisture sensitive
• Boil Point(°C): 195℃
• Melt Point(°C): 101.4 °C
• Molecular Weight: 152.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 218.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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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2. Jinyun Xu, Hongjie Wang, He Wang, Yamin Liu, Wenyu Wang, Xin Jin, Changfa Xiao.  (2022)  Hydrogen bond strategy designed textile composite electrodes for supercapacitor with highly efficient utilization of polypyrrole.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2022.101957]

3. Xu Renxin, Cheng Shixin, Zhou Jing, Shen Jie, Li Zheng, Tan Xing.  (2018)  Thermal and Mechanical Properties of Epoxy Resin Modified with N-(4-hydroxyphenyl)terahydrophthalic Anhydrideimide.  JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION,  33  (3): (744-748).  [PMID:] [10.1007/s11595-018-1887-8]

4. Renxin Xu, Detian Meng, Huajun Sun, Jing Zhou, Shixin Cheng, Zheng Li.  (2018)  Synthesis and properties of cycloaliphatic epoxy resins containing imide and diphenyl sulfone.  HIGH PERFORMANCE POLYMERS,      [PMID:] [10.1177/0954008318774822]

5. Dian Li, Luyan Sun, Yuting Zhang, Meng Yu, Jia Guo, Changchun Wang.  (2016)  Flexible assembly of targeting agents on porous magnetic nano-cargos by inclusion complexation for accurate drug delivery.  Materials Chemistry Frontiers,  1  (3): (521-529).  [PMID:] [10.1039/C6QM00049E]

6. Yongjian Wang, Huizhen Wang, Xueming Lv, Congcong Liu, Linshuang Qi, Xindi Song, Ao Yu.  (2013)  Enhancement of All-Trans Retinoic Acid-Induced Differentiation by pH-Sensitive Nanoparticles for Solid Tumor Cells.  MACROMOLECULAR BIOSCIENCE,  14  (3): (369-379).  [PMID:24115498] [10.1002/mabi.201300295]