cis-1,2-Cyclohexanedicarboxylic anhydride - ≥99% , CAS No.13149-00-3

CAS: 13149-00-3 Cat. No.: C107166 Molecular Weight: 154.16 EC Number: 236-086-3

GRADE & PURITY ≥99%

Synonyms

B52Z7TNV87 | cis-1,2-Cyclohexanedicarboxylic anhydride | cis-1,2-cyclohexane-dicarboxylic anhydride | cis-1,2-cyclohexanedicar-boxylic anhydride | cis-1,2-cyclohexane dicarboxylic anhydride | (cis)-hexahydroisobenzofuran-1,3-dione | cis-Hexahydroisobenzof

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

B52Z7TNV87 | cis-1, 2-Cyclohexanedicarboxylic anhydride | cis-1, 2-cyclohexane-dicarboxylic anhydride | cis-1, 2-cyclohexanedicar-boxylic anhydride | cis-1, 2-cyclohexane dicarboxylic anhydride | (cis)-hexahydroisobenzofuran-1, 3-dione | cis-Hexahydroisobenzof

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504759710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759710
• Canonical Smiles: C1CCC2C(C1)C(=O)OC2=O
• IUPAC Name: (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
• InChIKey: MUTGBJKUEZFXGO-OLQVQODUSA-N
• INCHI: 1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+
• Isomeric SMILES: C1CC[C@H]2[C@@H](C1)C(=O)OC2=O
• Alternate CAS: 85-42-7
• UN Number: 3335
• Molecular Weight: 154.16
• 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 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

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Hygroscopic
• Freezing Point(°C): 36 °C
• Flash Point(°F): 289.4°F
• Flash Point(°C): 143℃
• Boil Point(°C): 296°C
• Melt Point(°C): 29-32°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. Zhengzhou Liu, Zheng Lu, Weifeng Peng, Yang Liu, Jianghuai Hu, Ke Zeng, Gang Yang.  (2019)  A highly fluorescent adenine derivative and its interaction with iron ions.  TETRAHEDRON,      [PMID:] [10.1016/j.tet.2019.04.033]

2. Maoping Lu, Yingchun Liu, Xiangxiang Du, Shiheng Zhang, Guokang Chen, Qian Zhang, Sa Yao, Liyan Liang, Mangeng Lu.  (2019)  Cure Kinetics and Properties of High Performance Cycloaliphatic Epoxy Resins Cured with Anhydride.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b06442]

3. Mengyu Li, Ning Liu, Jinhang Chen, Qiaoling Li.  (2018)  Simple construction based on epoxy-bonded super-hydrophobic anti-corrosion coating.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2018.10.016]

4. Huan Zhang, Yingying Guo, Jianfeng Yao, Ming He.  (2016)  Epoxidised soybean oil polymer composites reinforced with modified microcrystalline cellulose.  Journal of Experimental Nanoscience,      [PMID:] [10.1080/17458080.2016.1209584]

5. Ping Yuan, Suchun Ji, Jianghuai Hu, Xueping Hu, Ke Zeng, Gang Yang.  (2016)  Systematic study on highly efficient Thermal Synergistic Polymerization effect between alicyclic imide moiety and phthalonitrile: Scope, Properties and Mechanism.  POLYMER,      [PMID:] [10.1016/j.polymer.2016.09.025]

6. Islam Muhammad Remanul, Beg Mohammad Dalour Hossen, Jamari Saidatul Shima Binti.  (2015)  The effects of five different types of acid anhydrides and incorporation of montmorillonite nanoclays on thermosetting resins.  POLYMER BULLETIN,  72  (11): (3007-3030).  [PMID:] [10.1007/s00289-015-1450-0]

7. Qingzhi Guo, Dongdong Guan, Baihua Dong, Fangfang Nan, Youzhong Zhang.  (2015)  Charge-Conversional Binary Drug Delivery Polymeric Micelles for Combined Chemotherapy of Cervical Cancer.  International Journal of Polymeric Materials and Polymeric Biomaterials,      [PMID:] [10.1080/00914037.2015.1038819]

8. Ming He, Jianjun Zhou, Huan Zhang, Zhenyang Luo, Jianfeng Yao.  (2015)  Microcrystalline cellulose as reactive reinforcing fillers for epoxidized soybean oil polymer composites.  JOURNAL OF APPLIED POLYMER SCIENCE,  132  (36):   [PMID:] [10.1002/app.42488]

9. Jiao Sun, Yiqing Wang, Jiaxing Zhang, Jianhao Wang, Cheng Wang.  (2025)  A drug reservoir strategy for long-acting cancer therapy using morphologically transformed amphiphilic polymeric nanoparticles.  Acta Biomaterialia,      [PMID:40617494] [10.1016/j.actbio.2025.07.006]

10. Jiao Sun, Yiqing Wang, Rongjing Zhou, Xian Zou, Qiqi Ge, Zheng Xing, Cheng Wang, Jianhao Wang.  (2026)  A Dual-Metabolic Strategy Combining pH-Responsive Vascular Embolization and Localized Glucose Oxidase Delivery for Cascade Starvation Therapy of Tumor.  BIOMACROMOLECULES,      [PMID:41490079] [10.1021/acs.biomac.5c01749]