Hexafluorocyclotriphosphazene - ≥97%(GC) , CAS No.15599-91-4

CAS: 15599-91-4 Cat. No.: H156970 Molecular Weight: 248.93 EC Number: 621-138-3

GRADE & PURITY ≥97%(GC)

Synonyms

1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6,6-hexafluoro-2,2,4,4,6,6,-hexahydro- | FT-0654869 | H1429 | Phosphonitrilefluoridetrimer | 2,2,4,4,6,6-hexafluoro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene | Hexafluorocyclotriphosp

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3, 5, 2, 4, 6-Triazatriphosphorine, 2, 2, 4, 4, 6, 6-hexafluoro-2, 2, 4, 4, 6, 6, -hexahydro- | FT-0654869 | H1429 | Phosphonitrilefluoridetrimer | 2, 2, 4, 4, 6, 6-hexafluoro-1, 3, 5-triaza-2lambda5, 4lambda5, 6lambda5-triphosphacyclohexa-1, 3, 5-triene | Hexafluorocyclotriphosp

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504757190
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757190
• Canonical Smiles: N1=P(N=P(N=P1(F)F)(F)F)(F)F
• IUPAC Name: 2,2,4,4,6,6-hexafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• InChIKey: DKQPXAWBVGCNHG-UHFFFAOYSA-N
• INCHI: 1S/F6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
• Isomeric SMILES: N1=P(N=P(N=P1(F)F)(F)F)(F)F
• Molecular Weight: 248.93
• Reaxy-Rn: 2943488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2943488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Other non-metal halides

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Other non-metal halides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Other non-metal halides
• Alternative Parents: Not available
• Molecular Framework: Not available
• Substituents: Other non-metal halide
• Description: This compound belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen.
• 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

• Solubility: Soluble in Toluene
• Sensitivity: Hygroscopic,heat sensitive
• Boil Point(°C): 51°C(lit.)
• Melt Point(°C): 27°C(lit.)
• Molecular Weight: 248.932 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 248.921 Da
• Monoisotopic Mass: 248.921 Da
• Topological Polar Surface Area: 37.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 252.000
• 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. Guo-Qing Liu, Qing Hou, Xiao-Xiang Fan, Qing-Yi Zheng, Jeng-Kuei Chang, Jing-Min Fan, Ru-Ming Yuan, Ming-Sen Zheng, Quan-Feng Dong.  (2022)  In Situ Constructing a Catalytic Shell for Sulfur Cathode via Electrochemical Oxidative Polymerization.  ACS Applied Materials & Interfaces,      [PMID:36464840] [10.1021/acsami.2c18695]

2. Hongliang Ding, Lu Liu, Chuanshen Wang, Na Sun, Lini Wu, Bicheng Lin, Keqing Zhou, Wei Zhang, Xiaodong Qian, Conglin Shi, Bin Yu.  (2025)  Highly transparent, mechanically strong, recyclable, and flame-retardant vanillin-modified poly(urethane-urea) elastomers via dynamic oxime-urethane bonds and hydrogen bonds.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163416]