Tris(2,2,2-trifluoroethyl) phosphite (TTFP) - ≥99% , CAS No.370-69-4

CAS: 370-69-4 Cat. No.: T332014 Molecular Weight: 328.07 EC Number: 609-327-9 PubChem CID: 136203

GRADE & PURITY ≥99%

Synonyms

Tris(2,2,2-trifluoroethyl) phosphite, 99% | Tris(2,2,2-trifluoroethoxy)phosphine | NSC325606 | NSC-325606 | DTXSID20190492 | SY121059 | tris(2,2,2-trifluorethyl) phosphite | MFCD00009902 | SCHEMBL868411 | T3991 | AS-62987 | AKOS015903244 | NSC 325606 | Ph

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Tris(2,2,2-trifluoroethane)phosphite is an organophosphorus compound that can be used as a ligand in organometallic chemistry to enhance the binding of metal clusters and as an equivalent substitute for carbon monoxide. It can also be used as an electrolyte additive to improve electrochemical performance and as a cosolvent for non-flammable electrolytes in lithium-ion batteries.

Specifications

Synonyms

Tris(2, 2, 2-trifluoroethyl) phosphite, 99% | Tris(2, 2, 2-trifluoroethoxy)phosphine | NSC325606 | NSC-325606 | DTXSID20190492 | SY121059 | tris(2, 2, 2-trifluorethyl) phosphite | MFCD00009902 | SCHEMBL868411 | T3991 | AS-62987 | AKOS015903244 | NSC 325606 | Ph

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488187850
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187850
• Canonical Smiles: C(C(F)(F)F)OP(OCC(F)(F)F)OCC(F)(F)F
• IUPAC Name: tris(2,2,2-trifluoroethyl) phosphite
• InChIKey: CBIQXUBDNNXYJM-UHFFFAOYSA-N
• INCHI: 1S/C6H6F9O3P/c7-4(8,9)1-16-19(17-2-5(10,11)12)18-3-6(13,14)15/h1-3H2
• Isomeric SMILES: C(C(F)(F)F)OP(OCC(F)(F)F)OCC(F)(F)F
• PubChem CID: 136203
• Molecular Weight: 328.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Trialkylphosphites

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Trialkylphosphites
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkylphosphites
• Alternative Parents: Organic phosphites Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylphosphite - Organic phosphite - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylphosphites. These are organic compounds containing a phosphorous acid, which is tri-esterified with alkyl 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

Chemical and Physical Properties

• Sensitivity: moisture & air sensitive
• Refractive Index: 1.324
• Flash Point(°C): 113 °C
• Boil Point(°C): 130-131° C (lit.) at 743 mmHg
• Melt Point(°C): -28.50° C (Predicted)
• Molecular Weight: 328.070 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 327.991 Da
• Monoisotopic Mass: 327.991 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 217.000
• 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. Jinping Mu, Aijia Wei, Xiaohui Li, Rui He, Lijing Sun, Peizhao Liu, Xue Bai, Lihui Zhang, Xi Zhang, Zhenfa Liu, Jing Gao.  (2024)  Exploring the impact of synergistic dual-additive electrolytes on 5 V-class LiNi0·5Mn1·5O4 cathodes.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.234707]

2. Caixia Huang, Lucheng Li, Peng Yang, Jun Chen.  (2024)  Tris(2,2,2-trifluoroethyl) phosphite (TTFP) as a flame-retardant co-solvent to improve the safety and electrochemical performances of lithium-ion batteries.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D4NJ03428G]