3,3,3-Trifluoropropylene carbonate - ≥98% , CAS No.167951-80-6

CAS: 167951-80-6 Cat. No.: T305127 Molecular Weight: 156.06 EC Number: 813-619-3 PubChem CID: 3547310

GRADE & PURITY ≥98%

Synonyms

3,3,3-TRIFLUOROPROPYLENE CARBONATE | J-010417 | (+)-4-(Trifluoromethyl)-1,3-dioxolan-2-one | 3,3,3-TRIFLUOROPROPYLENECARBONATE | A920252 | 4-trifluoromethyl-1,3-dioxolan-2-one | MFCD02183522 | AKOS006279946 | DTXSID801265386 | EN300-217650 | 3,3,3-TRIFLUO

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

3, 3, 3-TRIFLUOROPROPYLENE CARBONATE | J-010417 | (+)-4-(Trifluoromethyl)-1, 3-dioxolan-2-one | 3, 3, 3-TRIFLUOROPROPYLENECARBONATE | A920252 | 4-trifluoromethyl-1, 3-dioxolan-2-one | MFCD02183522 | AKOS006279946 | DTXSID801265386 | EN300-217650 | 3, 3, 3-TRIFLUO

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194444
• Canonical Smiles: C1C(OC(=O)O1)C(F)(F)F
• IUPAC Name: 4-(trifluoromethyl)-1,3-dioxolan-2-one
• InChIKey: GKZFQPGIDVGTLZ-UHFFFAOYSA-N
• INCHI: 1S/C4H3F3O3/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2
• Isomeric SMILES: C1C(OC(=O)O1)C(F)(F)F
• PubChem CID: 3547310
• Molecular Weight: 156.06

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: 1,3-dioxolanes Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic 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

• Flash Point(°C): 77 °C
• Boil Point(°C): 65 °C
• Molecular Weight: 156.060 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 156.003 Da
• Monoisotopic Mass: 156.003 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Haipeng You, Jiaqing Jiang, Long Chen, Chunzhong Li.  (2024)  Weakened Solvation Structure Electrolytes Enable High-Voltage Graphite||LiCoO2 Batteries.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.4c01296]

2. Huang He, Hu Yitao, Hou Yajun, Wang Xingkai, Dong Qiujiang, Zhao Zhixin, Ji Mingfang, Zhang Wanxing, Li Jinyang, Xie Jianping, Guo Hao, Han Xiaopeng, Ouyang Xiaoping, Hu Wenbin.  (2025)  Delocalized electrolyte design enables 600 Wh kg−1 lithium metal pouch cells.  NATURE,      [PMID:40804520] [10.1038/s41586-025-09382-4]