1858-42-0

Basic information

• Product Name: 2,2,4,4,6,6-hexaisothiocyanato-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine
• CAS NO: 1858-42-0
• Molecular Formula: C₆N₉P₃S₆
• Molecular Weight: 483.4358
• Mol File: 1858-42-0.mol
• Article Data: 2

Chemical Properties

• Density: 1.88g/cm³
• Refractive Index: 1.903
• CAS DataBase Reference: 2,2,4,4,6,6-hexaisothiocyanato-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4,4,6,6-hexaisothiocyanato-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine(1858-42-0)
• EPA Substance Registry System: 2,2,4,4,6,6-hexaisothiocyanato-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine(1858-42-0)

Safety Data

• Hazardous Substances Data: 1858-42-0(Hazardous Substances Data)

Usage

General Description

2,2,4,4,6,6-hexaisothiocyanato-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine is a chemical compound with the molecular formula C12H6N6P3S6. It is derived from the phosphinine family and consists of a six-membered triphosphinine ring with six isothiocyanate groups attached to it. 2,2,4,4,6,6-hexaisothiocyanato-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine is known for its potential applications as a ligand in coordination chemistry and catalysis. It has been studied for its ability to coordinate with various metal ions and form stable complexes, making it useful in a variety of chemical reactions and processes. Additionally, its unique structure and properties give it potential for use in materials science and nanotechnology.

Upstream product

• 940-71-6 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine 
• 17455-13-9 18-crown-6 ether 
• 333-20-0 potassium thioacyanate 

Downstream Products

• 51675-47-9 2-(carbamothioylamino)acetic acid 
• 103-85-5 monophenylthiourea 
• 622-52-6 p-methylphenylthiourea 
• 2293-07-4 1-(4-methoxyphenyl)thiourea 
• 58978-77-1 C₄₂H₄₈N₂₁P₃S₆ 
• 58978-76-0 Hexa-(N-phenyl-thioharnstoff)-triphosphonitril 

Relevant articles and documents

Synthesis of cyclic phosphazenes with isothiocyanato, thiourethane, and thiourea side groups: X-ray crystal structure of N3P3(NMe2)3(NCS)3

Reaction of the cyclic trimeric phosphazene [NP(NCS)2]3 with alcohols, ROH (R = CH3, C2H5, 1-C3H7, 1-C4H9, and 2-C3H7), in THF resulted in the formation of thiourethane derivatives, [NP(NHCSOR)2]3, via a nongeminal reaction pathway. Reactions of [NP(NCS)2]3 with amines, RNH2 (R = H, CH3, C6H5, 1-C4H9, and 1-C8H17), in THF yielded thiourea derivatives, [NP(NHCSNHR)2]3. Interaction of the cyclic tetramer [NP(NCS)2]4 with alcohols and amines also yielded thiourethane and thiourea derivatives, although the reactivity of the tetramer was lower than that of the trimer. The reactivity of the isothiocyanato groups was influenced by the steric and electronic effects of cosubstituent side groups such as trifluoroethoxy or dimethylamino. X-ray crystallographic analysis of cis-nongeminal-[NP(NMe2)(NCS)]3 was carried out, and the structure was compared with those of [NP(NCS)2]3 and [NP(NCS)2]4. cis-nongeminal-[NP(NMe2)(NCS)]3 crystallized in the triclinic space group P1. Unit cell parameters were a = 8.377 (7) ?, b = 9.030 (3) ?, c = 14.093 (7) ?, α = 85.55 (3)°, β = 74.91 (5)°, γ = 83.96 (4)°. The final R and Rw values were 0.047 and 0.074. The reactions of the cyclic phosphazenes served as models for those of the analogous macromolecular phosphazenes.