trans-1,4-Cyclohexanedicarboxylic acid - ≥97% , CAS No.619-82-9

CAS: 619-82-9 Cat. No.: C113969 分子式: C₈H₁₂O₄ 分子量: 172.18 Beilstein Registry Number: 9734 EC番号: 210-614-2

GRADE & PURITY ≥97%

Synonyms

AMY14439 | cyclohexane-1,4-dicarboxylic acid | FT-0623871 | A937154 | AKOS006239068 | trans-1,4-Cyclohexyldicarboxylic acid | F8889-8705 | cis-Cyclohexane-1,4-dicarboxylicacid | STK286097 | SY011569 | UNII-68QED0R44U | 1,4-Cyclohexanedicarboxylic acid, ci

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AMY14439 | cyclohexane-1,4-dicarboxylic acid | FT-0623871 | A937154 | AKOS006239068 | trans-1,4-Cyclohexyldicarboxylic acid | F8889-8705 | cis-Cyclohexane-1,4-dicarboxylicacid | STK286097 | SY011569 | UNII-68QED0R44U | 1,4-Cyclohexanedicarboxylic acid, ci

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 508812800
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/508812800
• カノニカル・スマイル: C1CC(CCC1C(=O)O)C(=O)O
• IUPAC Name: cyclohexane-1,4-dicarboxylic acid
• InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N
• INCHI: 1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
• 異性体SMILES: C1CC(CCC1C(=O)O)C(=O)O
• WGKドイツ: 3
• 分子量: 172.18
• Beilstein: 9734
• Reaxy-Rn: 1870377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

化学的性質と物理的性質

• 溶解度: Soluble in methanol, ethanol, and acetone; Slightly soluble in ether
• 沸点（°C）: 384.1° C at 760 mmHg
• 融点（°C）: 300°C
• 分子量: 172.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.074 Da
• Monoisotopic Mass: 172.074 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

参考文献

1. Shuwei Cai, Shuzhong Wang, Dongxu Wei, Haijun Niu, Wen Wang, Xuduo Bai.  (2018)  Multifunctional polyamides containing pyrrole unit with different triarylamine units owning electrochromic, electrofluorochromic and photoelectron conversion properties.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2018.01.039]

2. Hao-Ling Lan, Su-Tao Zheng, Li Xu, Guowei Guan, Qing-Yuan Yang.  (2025)  Scalable Copper-Based Coordination Frameworks with Tailored Pore Chemistry for Energy-Efficient C2H2/CO2 Separation.  Industrial Chemistry & Materials,      [PMID:] [10.1039/D5IM00068H]

3. Yang Zhenghui, Guo Haiquan.  (2026)  Fabrication of semi-alicyclic colorless polyimide films with high optical transparency and low CTE for flexible AMOLED displays.  POLYMER BULLETIN,  83  (7): (368).  [PMID:] [10.1007/s00289-026-06432-3]

4. Zhang Zhao, Li Renjie, Ding Zhao, Wang Sa, Du Aoxuan, Wang Dan, Xie Wei.  (2026)  Solid-State Storage of Ammonia Using Partially Etched MOFs for Fuel Cell Applications.  ACS Applied Materials & Interfaces,  18  (35): (47618-47628).  [PMID:42673569] [10.1021/acsami.6c08675]