hexachloro-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine

• ChemBase ID: 87058
• Molecular Formular: Cl6N3P3
• Molecular Mass: 347.659383
• Monoisotopic Mass: 344.74362299
• SMILES: P1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)(Cl)Cl
• Canonical SMILES: ClP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)Cl
• InChI: InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
• InChIKey: UBIJTWDKTYCPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexachloro-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine; hexachloro-1,3,5,2λ^5,4λ^5,6λ^5-triazatriphosphinine
• IUPAC Traditional name: hexachlorophosphazene
• Synonyms: Phosphonitrilic chloride trimer; 2,2,4,4,6,6-Hexachloro-1,3,5-triazatriphosphinine; Hexachlorophosphazene; Hexachlorocyclotriphosphazene; Inorganic benzene; PHOSPHONITRILIC CHLORIDE TRIMER; Triphosphonitrilic chloride; Phosphonitrilic chloride, Hexachlorocyclotriphosphazene; 2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-; hexahydro-1,3,5,2,4,6-Triazatriphosphorine; 1,3,5,2,4,6-Triazatriphosphorine-2,2,4,4,6,6-hexachloride; 1,3,5-Triaza-2,4,6-triphosphorin-2,2,4,4,6,6-hexachloride; Phosphonitrilic chloride trimer; 六氯三聚磷腈; 六氯三聚磷腈; 六氯环三聚膦腈; 膦酰氯三聚体; 三聚氯化磷腈

Database IDs

• CAS Number: 940-71-6
• EC Number: 213-376-8
• MDL Number: MFCD00006474
• PubChem SID: 24853791; 24871799; 162074174
• PubChem CID: 220225
• CHEMBL: 2022081
• Chemspider ID: 190959
• Wikipedia Title: Hexachlorophosphazene

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1707022
• LogD (pH = 7.4): 2.170703
• Log P: 2.170703
• Molar Refractivity: 67.506 cm^3
• Polarizability: 23.950027 Å^3
• Polar Surface Area: 37.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomp. in water; soluble in chlorocarbons
• Apperance: colorless crystals
• Melting Point: 111-115°C; 111-115°C; 112-115 °C(lit.); 112–15 °C; 113-115°C
• Boiling Point: 127°C; 127°C/13mm; 127°C/13mm; decomp.
• Flash Point: Non-flammable
• Density: 1.90 g/ml; 1.98; 1.98 g/mL at 25 °C; 1.98 g/mL at 25 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759; 3260; UN3096
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 14-34; R:34
• Safety Statements: 26-36/37/39-45; 8-26-30-36/37/39-45; S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• Main Hazard: mild irritant
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥99.99% trace metals basis; 98%; 99%
• Linear Formula: (NPCl2)3

DETAILS

MP Biomedicals - 02156236

Trimer
White crystals
An inorganic compound that behaves like an organic compound. Soluble in hydrocarbons. Insoluble in water.

Sigma Aldrich - 481947

Application
Reagent for the synthesis of ″dandelion″ (spherical) dendrimers.1 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.2
Packaging
5, 25 g in poly bottle

Sigma Aldrich - 230286

Application
Reagent for the synthesis of ″dandelion″ (spherical) dendrimers.1 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.2
Packaging
25, 100 g in glass bottle