Carbonic acid, Methyl 2,2,2-trifluoroethyl ester (FEMC) - ≥98% , CAS No.156783-95-8

CAS: 156783-95-8 Cat. No.: C303005 Molecular Weight: 158.07 EC Number: 694-997-5

GRADE & PURITY ≥98%

Synonyms

MFCD28054295 | EN300-200188 | CF3CH2OCO2CH3 | Carbonicacid,methyl2,2,2-trifluoroethylester | DTXSID90590869 | M3376 | FEMC | SCHEMBL308513 | methyl (2,2,2-trifluoroethyl) carbonate | SY131079 | AS-67618 | 2,2,2-trifluoroethyl Methyl Carbonate | methyl 2,2

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

MFCD28054295 | EN300-200188 | CF3CH2OCO2CH3 | Carbonicacid, methyl2, 2, 2-trifluoroethylester | DTXSID90590869 | M3376 | FEMC | SCHEMBL308513 | methyl (2, 2, 2-trifluoroethyl) carbonate | SY131079 | AS-67618 | 2, 2, 2-trifluoroethyl Methyl Carbonate | methyl 2, 2

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768643
• Canonical Smiles: COC(=O)OCC(F)(F)F
• IUPAC Name: methyl 2,2,2-trifluoroethyl carbonate
• InChIKey: GBPVMEKUJUKTBA-UHFFFAOYSA-N
• INCHI: 1S/C4H5F3O3/c1-9-3(8)10-2-4(5,6)7/h2H2,1H3
• Isomeric SMILES: COC(=O)OCC(F)(F)F
• UN Number: 3272
• Packing Group: II
• Molecular Weight: 158.07
• Reaxy-Rn: 8403052
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8403052&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional 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
• Flash Point(°C): 0 °C
• Boil Point(°C): 90 °C
• Molecular Weight: 158.080 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 158.019 Da
• Monoisotopic Mass: 158.019 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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

References

1. Pengfei Liu, Yuxin Rao, Huasong Wang, Xue Li, Xiaomin Wang, Miaomiao Yu, Yong Li, Zhihao Yue, Fanglin Wu, Shan Fang.  (2023)  Fluorinated Carbonate-aided Ionic-liquid Electrolyte Enables High-capacity Lithium-metal Batteries.  Batteries & Supercaps,      [PMID:] [10.1002/batt.202300353]

2. Yuxin Rao, Xue Li, Shangquan Zhao, Pengfei Liu, Fanglin Wu, Xiang Liu, Naigen Zhou, Shan Fang, Stefano Passerini.  (2024)  Fluorinated electrolyte formulations design enabling high-voltage and long-life lithium metal batteries.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2024.109362]

3. Zhao Chang-Xin, Li Zheng, Chen Bin, Chen Fu, Wang Chunsheng.  (2025)  Self-adaptive electrolytes for fast-charging batteries.  Nature Energy,      [PMID:] [10.1038/s41560-025-01801-0]

4. Dongwei Zhou, Shihao Wang, Jiansen Wen, Jie Mei, Guiyang Gao, Saichao Li, Baisheng Sa, Jie Lin, Laisen Wang, Guoying Wei, Dong-Liang Peng, Qingshui Xie.  (2025)  Nonflammable single-solvent electrolyte towards highly stable Li-rich Mn-based cathode materials.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA02568K]

5. Ruan Digen, Chen Shunqiang, Guo Jiasen, Wang Dazhuang, Zhu Weiduo, Huang Bing, Li Yuan, Ma Jun, Ma Zhihao, Wang Zihong, Zhu Zhongliang, Cao Ruiguo, Jiao Shuhong, Wu Yiying, Xu Kang, Ren Xiaodi.  (2026)  Molecularly aligned electron channels for ultrafast-charging practical lithium-metal batteries.  Nature Energy,      [PMID:] [10.1038/s41560-025-01961-z]