Ethoxy(pentafluoro)cyclotriphosphazene - ≥98%(GC) , CAS No.33027-66-6

CAS: 33027-66-6 Cat. No.: E156422 Molecular Weight: 275.00 EC Number: 608-823-2

GRADE & PURITY ≥98%(GC)

Synonyms

2-Ethoxy-2,4,4,6,6-pentafluoro-1,3,5,2,4,6-triazatriphosphorine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-Ethoxy-2, 4, 4, 6, 6-pentafluoro-1, 3, 5, 2, 4, 6-triazatriphosphorine

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488200323
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200323
• Canonical Smiles: CCOP1(=NP(=NP(=N1)(F)F)(F)F)F
• IUPAC Name: 2-ethoxy-2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• InChIKey: CBTAIOOTRCAMBD-UHFFFAOYSA-N
• INCHI: 1S/C2H5F5N3OP3/c1-2-11-14(7)9-12(3,4)8-13(5,6)10-14/h2H2,1H3
• Isomeric SMILES: CCOP1(=NP(=NP(=N1)(F)F)(F)F)F
• Molecular Weight: 275.00
• Reaxy-Rn: 2471465
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2471465&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen 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: Heat Sensitive
• Refractive Index: 1.36
• Boil Point(°C): 42°C/30mmHg(lit.)
• Molecular Weight: 274.990 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 274.957 Da
• Monoisotopic Mass: 274.957 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 361.000
• 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. Yudong Zhang, Peng Wei, Bo Zhou, Hongshun Zhao, Zihao Wang, Jianmin Ma, Yurong Ren.  (2023)  Multifunctional Electrolyte Additive for High-Nickel LiNi0.8Co0.1Mn0.1O2 Cathodes of Lithium-Metal Batteries.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.3c01600]

2. Ningxin Wang, Menglu Li, Haiqing Lv, Hanwen An, Yan Wang, Qingsong Liu, Haiyan Lu, Jiajun Wang.  (2025)  Fluorinated Weakly Coordinating Solvent Enables High-Areal-Capacity Low-Temperature Sodium Batteries.  ACS Applied Materials & Interfaces,      [PMID:41455115] [10.1021/acsami.5c17054]