21674-38-4

Basic information

• Product Name: 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
• Synonyms: 2,4,6-TRIS(PENTADECAFLUOROHEPTYL)-S-TRIAZINE;2,4,6-TRIS(PERFLUOROHEPTYL)-1,3,5-TRIAZINE;2,4,6-TRIS(PERFLUOROHEPTYL)-S-TRIAZINE;PERFLUOROTRIHEPTYL-S-TRIAZINE;TRIS(PERFLUOROHEPTYL)-1,3,5-TRIAZINE;TRIS(PERFLUOROHEPTYL)-S-TRIAZINE;2,4,6-tris(pentadecafluoroheptyl)-1,3,5-triazine;2,4,6-TRIS(PERFLUOROHEPTYL)-1,3,5-TRIAZINE, MASS SPEC STD
• CAS NO: 21674-38-4
• Molecular Formula: C₂₄F₄₅N₃
• Molecular Weight: 1185.21
• EINECS: 244-521-3
• Product Categories: Heterocyclic Compounds;Analytical Chemistry;Fluorous Chemistry;Fluorous Compounds;Mass Spectrometry;Standard for Mass Spectrometry;Synthetic Organic Chemistry
• Mol File: 21674-38-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 26-29 °C(lit.)
• Boiling Point: 150°C 1,5mm
• Flash Point: 150°C/1.5mm
• Appearance: /
• Density: 1.8192 (estimate)
• Vapor Pressure: 2.38E-06mmHg at 25°C
• Refractive Index: 1.3
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly)
• PKA: -3.75±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 741791
• CAS DataBase Reference: 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine(21674-38-4)
• EPA Substance Registry System: 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine(21674-38-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10-23
• Hazardous Substances Data: 21674-38-4(Hazardous Substances Data)

Usage

Description

2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine is a heterocyclic fluorinated building block, which is an s-triazine derivative. It is a white solidified mass or fragments.

Uses

Used in Mass Spectrometry:
2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine is used as a reference standard in mass spectroscopy for m/z ratios between 600-1600.
Used in Chemical Synthesis:
2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine may be used in chemical synthesis for various applications.

InChI:InChI=1/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69

Upstream product

• 647-12-1 perfluorooctanenitrile 
• 638-21-1 phenylphosphane 
• 104429-05-2 N-phenyl-perfluoro-n-octylamidine 
• 62-53-3 aniline 

Relevant articles and documents

REACTIONS OF PERFLUORONITRILES. II. INTERACTIONS WITH PHENYLPHOSPHINE

Treatment of perfluoro-n-octanonitrile with phenylphosphine gave tetraphenyltetraphosphine and a spectrum of reduction and interaction products.Fifteen compounds were identified.The imine, (Rf=C7F15) RfCH=NH, and the amine, RfCH2NH2, were the primary reduction products.Secondary phosphorus-free products, some formed following ammonia evolution, were the following: RfCH=NCH2Rf, RfCH2CH(NH2)Rf, RfC(=NH)N=CRf(NH2), RfCH2NHCRf(=NH), (RfCN)3, RfCH=NCRf=NCRf(=NH), RfCH2N=CRfNHCH2Rf, and RfCH2N=CRfNHCRf(=NH).Only three phosphorus-containing materials were definitely identified: RfCH(NH2)P(C6H5)H, RfCHN=CHRf, and RfC(=NH)P(C6H5)CRf(=NH).Depending on reaction conditions, specific phosphorus-containing compounds could be preferentially produced.All the structure assignments are based solely on mass spectral breakdown patterns, since pure compounds were not isolated.