Hexaphenoxycyclotriphosphazene - ≥98%(HPLC) , CAS No.1184-10-7

CAS: 1184-10-7 Cat. No.: H138074 Formula: C₃₆H₃₀N₃O₆P₃ Molecular Weight: 693.57

GRADE & PURITY ≥98%(HPLC)

Synonyms

1,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexaphenoxy- | 2,2,4,4,6,6-hexaphenoxy-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine | NSC117810 | NSC-117810 | SY055946 | 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambd

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexaphenoxy- | 2,2,4,4,6,6-hexaphenoxy-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine | NSC117810 | NSC-117810 | SY055946 | 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambd

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

488187915

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187915

Canonical Smiles

C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7

IUPAC Name

2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

InChIKey

RNFJDJUURJAICM-UHFFFAOYSA-N

INCHI

1S/C36H30N3O6P3/c1-7-19-31(20-8-1)40-46(41-32-21-9-2-10-22-32)37-47(42-33-23-11-3-12-24-33,43-34-25-13-4-14-26-34)39-48(38-46,44-35-27-15-5-16-28-35)45-36-29-17-6-18-30-36/h1-30H

Isomeric SMILES

C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7

Molecular Weight

693.57

Reaxy-Rn

1899523

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1899523&ln=

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

• Solubility: souble in Toluene
• Sensitivity: Air sensitive
• Boil Point(°C): 280 °C/0.1 mmHg
• Melt Point(°C): 114 °C
• Molecular Weight: 693.600 g/mol
• XLogP3: 11.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 693.135 Da
• Monoisotopic Mass: 693.135 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 911.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1184-10-7, the molecular formula is C36H30N3O6P3, and the molecular weight is 693.57 g/mol. InChIKey RNFJDJUURJAICM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.