Pentafluoro(phenoxy)cyclotriphosphazene - ≥98%(GC) , CAS No.33027-68-8

CAS: 33027-68-8 Cat. No.: P160102 Molecular Weight: 323.04 EC Number: 808-194-6 PubChem CID: 23419251

GRADE & PURITY ≥98%(GC)

Synonyms

2,4,4,6,6-Pentafluoro-2-phenoxy-1,3,5,2,4,6-triazatriphosphorine | E5-1,3,5,2,4,6-triazatriphosphorine | E5,4 | T72310 | Pentafluoro(phenoxy)cyclotriphosphazene | 2,2,4,4,6-Pentafluoro-6-phenoxy-2 | P2286 | 1,3,3,5,5-pentafluoro-1-phenoxy-cyclotriphosphaz

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 4, 4, 6, 6-Pentafluoro-2-phenoxy-1, 3, 5, 2, 4, 6-triazatriphosphorine | E5-1, 3, 5, 2, 4, 6-triazatriphosphorine | E5, 4 | T72310 | Pentafluoro(phenoxy)cyclotriphosphazene | 2, 2, 4, 4, 6-Pentafluoro-6-phenoxy-2 | P2286 | 1, 3, 3, 5, 5-pentafluoro-1-phenoxy-cyclotriphosphaz

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: 504769406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769406
• Canonical Smiles: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(F)F)(F)F)F
• IUPAC Name: 2,2,4,4,6-pentafluoro-6-phenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• InChIKey: XNZZEQCBAGUFMT-UHFFFAOYSA-N
• INCHI: 1S/C6H5F5N3OP3/c7-16(8)12-17(9,10)14-18(11,13-16)15-6-4-2-1-3-5-6/h1-5H
• Isomeric SMILES: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(F)F)(F)F)F
• PubChem CID: 23419251
• Molecular Weight: 323.04
• Reaxy-Rn: 2478633

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Organooxygen compounds Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

• Sensitivity: Heat sensitive
• Refractive Index: 1.43
• Boil Point(°C): 46°C/0.8mmHg(lit.)
• Molecular Weight: 323.040 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 322.957 Da
• Monoisotopic Mass: 322.957 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 459.000
• 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