Aluminum trifluoromethanesulfonate - ≥98% , CAS No.74974-61-1

CAS: 74974-61-1 Cat. No.: T304551 Molecular Weight: 474.19 EC Number: 629-179-9

GRADE & PURITY ≥98%

Synonyms

Aluminum triflate | Aluminum tris(trifluoromethanesulfonate) | Tris(trifluoromethanesulfonato)aluminum

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Aluminum trifluoromethanesulfonate (aluminum triflate or Al(OTf)3) can be employed as a catalyst:
• In the regioselective synthesis of cyclic ethers by cycloisomerization of unsaturated alcohols 
In the conversion of saccharides into 5-hydroxymethylfurfural (5-HMF).
• Along with Pd(OAc)2/BINAP for the methoxycarbonylation reaction of phenylacetylene.

Specifications

Synonyms

Aluminum triflate | Aluminum tris(trifluoromethanesulfonate) | Tris(trifluoromethanesulfonato)aluminum

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3]
• IUPAC Name: aluminum;trifluoromethanesulfonate
• InChIKey: FKOASGGZYSYPBI-UHFFFAOYSA-K
• INCHI: 1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3]
• Molecular Weight: 474.19
• Reaxy-Rn: 11551766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11551766&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organic metal halides Organofluorides Organic oxides Organic aluminium salts Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic metal halide - Alkyl fluoride - Hydrocarbon derivative - Organic aluminium salt - Organic salt - Halomethane - Organic oxide - Organosulfur compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
• 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 300 °C (lit.)
• Molecular Weight: 474.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 473.838 Da
• Monoisotopic Mass: 473.838 Da
• Topological Polar Surface Area: 197.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 145.000
• 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: 4

XLogP3

References

1. Muhammad Umair Ahmad, Guoying Zhao, Shahid Hussain.  (2023)  Trifloaluminate Ionic Liquids Supported UIO-67 as Lewis Acidic Catalyst for Excellent Synthesis of Alkyl Levulinates.  ChemistrySelect,  8  (43): (e202302665).  [PMID:] [10.1002/slct.202302665]

2. Jie Zhang, Wenhao Ren, Shuhui Chen, Yong Liu, Zibiao Guo, Jingchuan Dang, Wenjia Wu, Jingtao Wang.  (2023)  The Fabrication of in Situ Polymerization of 1,3-Dioxlane/Poly(vinyl alcohol)/Polyethylenimine Quasi-Solid Polymer Electrolyte for a Lithium Metal Battery Operated at Low Temperatures.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.3c02142]

3. Fukun Li, Ronghe Yang, Zheng Tian, Ziting Du, Jinhang Dai, Xingmin Wang, Ning Li, Jie Zhang.  (2023)  Microwave-Assisted One Pot Cascade Conversion of Furfural to γ-Valerolactone over Sc(OTf)3.  CHEMISTRY-A EUROPEAN JOURNAL,  29  (52): (e202300950).  [PMID:37392150] [10.1002/chem.202300950]

4. Feng Du, Mengyu Wang, Libin Wang, Yushan Li, Yuangao Wang, Wenan Deng, Wenjuan Yan, Xin Jin.  (2023)  Catalytic conversion of polyoxymethylene with bio-derived substrates: kinetic modeling on solvent enhancement effect and experimental studies on reaction mechanism.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2023.118670]

5. Guangjian Liao, Fuming Mei, Zhuqi Chen, Guochuan Yin.  (2022)  Lewis acid improved dioxygen activation by a non-heme iron(II) complex towards tryptophan 2,3-dioxygenase activity for olefin oxygenation.  DALTON TRANSACTIONS,  51  (47): (18024-18032).  [PMID:36373374] [10.1039/D2DT02769K]

6. Wenhao Ren, Yafang Zhang, Ruixin Lv, Shiyuan Guo, Wenjia Wu, Yong Liu, Jingtao Wang.  (2022)  In-situ formation of quasi-solid polymer electrolyte for improved lithium metal battery performances at low temperatures.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2022.231773]

7. Guojie Li, Yanwei Zhao, Bin Guo, Junlong Zhang, Jingmiao Jia, Aoxuan Wang, Chuntai Liu.  (2025)  Architecting a High Specific Energy Aqueous Aluminum–Manganese Battery.  Battery Energy,      [PMID:] [10.1002/bte2.20240093]

8. Fukun Li, Lin Shuai, Yuan Tian, Zheng Tian, QingYa Cao, Jinhang Dai, Song Wang, Haifeng Gong, Junjun Shi.  (2025)  Microwave-assisted catalytic upgrading of 2,5-hexanedione to 2,5-dimethyltetrahydrofuran over metal triflate under H2-free conditions.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2025.120741]

9. Qi Pan, Wanliang Yang, Chen Wu, Dongjia Xie, Yuan Wang.  (2025)  Poly(1,3-Dioxolane)-Modified Li1.3Al0.3Ti1.7(PO4)3 as the Electrolyte for Enhanced Solid Lithium Metal Batteries.  CHEMISTRY-A EUROPEAN JOURNAL,  31  (12): (e202403915).  [PMID:39868468] [10.1002/chem.202403915]

10. Huai Liu, Yanping Kong, Weipeng Song, Rui Zhang, Junhua Zhang, Yong Sun, Lincai Peng.  (2024)  Pretreatment greatly facilitates ethyl levulinate production from catalytic alcoholysis of Napier grass stem.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.148559]

11. Zilong Rao, Yu Zhang, Shuailong Zhao, Huai Liu, Rui Zhang, Wenlong Jia, Junhua Zhang, Yong Sun, Lincai Peng.  (2025)  Rational Improvement for the Catalytic Alcoholysis of Straw Biomass by Understanding the Role of Inorganic Components.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c00690]

12. Mingyang Zhong, Tevin Li, Shouyi Yuan, Junwei Lucas Bao, Yonggang Wang.  (2025)  Enhancing the Electrochemical Performance of Small Quinone Organic Electrode via High-Concentration Zn2+/K+ Hybrid Electrolyte for Aqueous Batteries.  Small,      [PMID:40641273] [10.1002/smll.202501112]

13. Jinghua Wang, Jiangang Wang, Hongyou Cui.  (2025)  Formylation-mediated pretreatment: Enabling high-yield production of methyl levulinate from cellulose at high substrate loading.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.167667]

14. Xue Chen, Yujie Fu, Shiwei Yan, Quanhuan Yao, Cong Tian, Lingyu Wang, Peiyang Shi, Yingfu Zhou, Zhe Yu, Guilong Yan, Anjun Hu, Liujun Cao, Jianping Long.  (2025)  Engineered bilayer interfacial protection for stable aluminum metal anodes in aqueous batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40834815] [10.1016/j.jcis.2025.138704]

15. Qi Liu, Yongjie Dan, Yanhua Niu, Guangxian Li.  (2025)  Molecular design for in-situ polymerization of hybrid polymer electrolyte enables high-voltage and high-energy-density quasi-solid-state lithium metal batteries.  Energy Storage Materials,      [PMID:] [10.1016/j.ensm.2025.104277]

16. Cholho Choe, Ling Yang, Zhanao Lv, Wanling Mo, Zhuqi Chen, Guangxin Li, Guochuan Yin.  (2015)  Redox-inactive metal ions promoted the catalytic reactivity of non-heme manganese complexes towards oxygen atom transfer.  DALTON TRANSACTIONS,  44  (19): (9182-9192).  [PMID:25904197] [10.1039/C4DT03993A]

17. Xiangxiang Chen, Junru Wu, Wentao Zhang, Ji Li, Ziyao Gao, Xu Zhao, Kuang Yu, Yan-Bing He, Baohua Li, Feiyu Kang, Lele Peng.  (2025)  Salt-Free Solid Polymer Electrolytes Enabling Inorganic-Rich Solid-Electrolyte Interphase for Stable and Cost-Effective Li-Metal Batteries.  Small,      [PMID:40190131] [10.1002/smll.202500452]

18. Weiwei Huang, Maotao Cui, Likun Song, Wenqing Wu, Xiu Dong, Xia Gao, Zuowan Zhou.  (2026)  Skin-Mimetic Surface Engineering: Synergistically Enhancing the Gas Barrier and Tuning Biodegradability of Bamboo Biomass Films.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c12466]

19. Ruijie Guo, Zhenxi Li, Yiming Guo, Shilun Gao, Chao-Peng Wang, Huabin Yang, Peng-Fei Cao.  (2026)  Surpassing the conductivity-conversion trade-off in plasticizer-rich poly(1,3-dioxolane) electrolytes via an efficient initiator.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2026.02.019]