Phosphonitrilic chloride trimer - ≥99.9% metals basis , CAS No.940-71-6

CAS: 940-71-6 Cat. No.: P475134 Formula: Cl₆N₃P₃ Molecular Weight: 347.66 EC Number: 213-376-8

GRADE & PURITY ≥99.9% metals basis

Synonyms

2,2,4,4,6,6-Hexachloro-1,3,5-triaza-2,4,6-triphosphorine | 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene | Phosphonitrilic chloride trimer | 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-2,2,4,4,6,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Description

Reagent for the synthesis of ″dandelion″ (spherical) dendrimers. Ring-opening polymerization, ligand and/or ligand precursor for transition metals, and the study of P-Cl bond substitution reactions are among the interesting uses for this product.

Specifications

Synonyms

2,2,4,4,6,6-Hexachloro-1,3,5-triaza-2,4,6-triphosphorine | 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene | Phosphonitrilic chloride trimer | 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-2,2,4,4,6,

Specifications & Purity

≥99.9% metals basis

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥99.9% metals basis

Names and Identifiers

Pubchem Sid

528775070

Canonical Smiles

N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl

IUPAC Name

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

InChIKey

UBIJTWDKTYCPMQ-UHFFFAOYSA-N

INCHI

1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10

Isomeric SMILES

N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl

WGK Germany

3

UN Number

3260

Molecular Weight

347.66

Reaxy-Rn

1216896

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1216896&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

Associated Targets(Human)

HT-29 (80576 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vero (26788 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Easily soluble in ether and benzene; Soluble in toluene
• Sensitivity: moisture sensitive
• Boil Point(°C): 127°C
• Melt Point(°C): 111-115°C
• Molecular Weight: 347.700 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 346.741 Da
• Monoisotopic Mass: 344.744 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