Bis(2,2,2-trifluoroethyl) Phosphite - ≥94%(GC) , CAS No.92466-70-1

CAS: 92466-70-1 Cat. No.: B152428 Molecular Weight: 246.05 EC Number: 628-262-7

GRADE & PURITY ≥94%(GC)

Synonyms

IMDCVAFSSZPRRM-UHFFFAOYSA-N | bis(trifluoroethyl)phosphonate | SY052432 | 1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxyphosphonoyloxy)ethane | MFCD00063314 | Bis(2,2,2-trifluoroethyl) Phosphonate | Phosphonic acid, bis(2,2,2-trifluoroethyl) ester | Bis(2,2,2-t

Storage

Room temperature

Shipped In

Normal

Overview

Bis(2,2,2-trifluoroethyl) phosphite was used in the synthesis of bis(2,2,2-trifluoroethyl phosphorochloridate. It was also employed as reagent for the synthesis of mono- and diesters of phosphorous acid.

Specifications

Synonyms

IMDCVAFSSZPRRM-UHFFFAOYSA-N | bis(trifluoroethyl)phosphonate | SY052432 | 1, 1, 1-Trifluoro-2-(2, 2, 2-trifluoroethoxyphosphonoyloxy)ethane | MFCD00063314 | Bis(2, 2, 2-trifluoroethyl) Phosphonate | Phosphonic acid, bis(2, 2, 2-trifluoroethyl) ester | Bis(2, 2, 2-t

Specifications & Purity

≥94%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥94%(GC)

Names and Identifiers

• Pubchem Sid: 504764102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764102
• Canonical Smiles: C(C(F)(F)F)O[P+](=O)OCC(F)(F)F
• IUPAC Name: oxo-bis(2,2,2-trifluoroethoxy)phosphanium
• InChIKey: IMDCVAFSSZPRRM-UHFFFAOYSA-N
• INCHI: 1S/C4H4F6O3P/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2/q+1
• Isomeric SMILES: C(C(F)(F)F)O[P+](=O)OCC(F)(F)F
• Molecular Weight: 246.05
• Reaxy-Rn: 10353191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10353191&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• 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
• Refractive Index: 1.332
• Flash Point(°F): 76°C(lit.)
• Flash Point(°C): 76°C(lit.)
• Boil Point(°C): 43-44 °C/2 mmHg
• Molecular Weight: 245.040 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 244.98 Da
• Monoisotopic Mass: 244.98 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 1
• Complexity: 178.000
• 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