91-78-1

Basic information

• Product Name: HEXAHYDRO-1,3,5-TRIPHENYL-1,3,5-TRIAZINE
• Synonyms: 1,3,5-Triphenyl-1,3,5-triazinane;1,3,5-Triphenylhexahydro-s-triazine;5-triazine,hexahydro-1,3,5-triphenyl-3;Anhydroformaldehyde aniline;Hexahydro-1,3,5-triphenyl-S-triazine;s-Triazine, hexahydro-1,3,5-triphenyl-;TIMTEC-BB SBB007857;1,3,5-TRIPHENYLHEXAHYDRO-1,3,5-TRIAZINE
• CAS NO: 91-78-1
• Molecular Formula: C₂₁H₂₁N₃
• Molecular Weight: 315.41
• EINECS: 202-097-7
• Mol File: 91-78-1.mol
• Article Data: 41

Chemical Properties

• Melting Point: 190-192°C
• Boiling Point: 444.96°C (rough estimate)
• Flash Point: 178.6°C
• Appearance: /
• Density: 1.1227 (rough estimate)
• Vapor Pressure: 2.1E-07mmHg at 25°C
• Refractive Index: 1.6380 (estimate)
• Storage Temp.: 2-8°C
• PKA: 3.78±0.40(Predicted)
• BRN: 91510
• CAS DataBase Reference: HEXAHYDRO-1,3,5-TRIPHENYL-1,3,5-TRIAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: HEXAHYDRO-1,3,5-TRIPHENYL-1,3,5-TRIAZINE(91-78-1)
• EPA Substance Registry System: HEXAHYDRO-1,3,5-TRIPHENYL-1,3,5-TRIAZINE(91-78-1)

Safety Data

• Statements: 22
• Safety Statements: 22-36/37
• RIDADR: 2811
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 91-78-1(Hazardous Substances Data)

Usage

General Description

Hexahydro-1,3,5-triphenyl-1,3,5-triazine, often abbreviated as HHTT, is a synthetic chemical compound. This triazine derivative is typically present as a clear, viscous liquid that is chemically stable. It has a variety of applications, commonly used in the manufacturing of foams, plastics, and resins. Due to the three aromatic phenyl rings in its structure, it exhibits a high degree of thermal stability and resistance to oxidation, making it particularly useful in materials subjected to high temperatures. However, exposure and handling should be done cautiously as it can be toxic and harmful upon ingestion, inhalation, or skin contact.

InChI:InChI=1/C21H39N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h19-21H,1-18H2/p+3

Upstream product

• 50-00-0 formaldehyd 
• 62-53-3 aniline 
• 6415-68-5 N-nitroso-N-phenylglycine 
• 22606-96-8 3,3-dimethyl-1,2-diphenylazetidine 
• 13474-22-1 1,4-diphenyl-azetidin-2-one 
• 103-70-8 Formanilid 
• 90720-10-8 1-methyl-2,1-benzisoxazol-3(1H)-one 
• 51-46-7 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8]dodecane 
• 127869-33-4 C₁₀H₁₆N₂O₂Si 
• 26021-90-9 sodium anilinomethanesulfonate 
• 4282-82-0 N-methyl-N-propargylaniline 
• 16078-91-4 N-allyl-N-ethylaniline 
• 6628-07-5 N-allyl-N-methylaniline 
• 5335-05-7 chloromethyl benzoate 

Downstream Products

• 5392-35-8 3-Anilinomethyl-2-benzthiazolinthion 
• 3009-97-0 N-phenylglycinonitrile 
• 24007-66-7 N-(4-aminobenzyl)aniline 
• 3526-43-0 N-(4-methoxybenzyl)aniline 
• 148-53-8 3-methoxy-2-hydroxybenzaldehyde 
• 121-33-5 vanillin 
• 21994-32-1 1,3,3-triphenyl-azetidin-2-one 
• 622-14-0 N,N'-diphenylmethylenediamine 
• 467-62-9 pararosaniline 
• 101-77-9 4,4'-diamino diphenyl methane 
• 1208-52-2 2,4'-diaminodiphenylmethane 
• 14568-98-0 N-(4-ethoxybenzyl)aniline 
• 838-88-0 3,3'-dimethyl-4,4'-diaminodiphenylmethane 
• 3526-45-2 2-((phenylamino)methyl)phenol 

Relevant articles and documents

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Synthesis and Cytotoxic Activity of Hexahydro-1,3,5-triazine Derivatives through Ring Condensation

As a part of a research program for pharmacologically interacting sym-triazine derivatives with hexahydrotriazine ring, novel hexahydrotriazine derivatives (1?13) were successfully synthesized. The synthesis of hexahydrotriazines was carried out from the assembly of three molecules of various amines and three molecules of formaldehyde by “1 + 1 + 1 + 1 + 1 + 1” cycloaddition. The synthesis mechanism is probably passes through imines, which trimerizes to give the hexahydrotriazine ring. All synthesized hexahydrotriazines (1–13) were screened for their cytotoxic activity by cancer cells. As a result, compound 1–9 reduced the viability of T98G cells in a concentration-dependent manner. At a concentration of 100 μM, compound 9 exhibited the greatest cytotoxicity at 94.6%. The reason is that compound 9 is C5H5N that has a resonance hybrid structure and exhibits aromaticity. It is considered to be active because it has a structure that is a raw material for pyridine derivatives as mainly medicines and pesticides.

Divergent Synthesis of Aziridine and Imidazolidine Frameworks under Blue LED Irradiation

We develop a visible light-promoted divergent cycloaddition of α-diazo esters with hexahydro-1,3,5-triazines, leading to a series of aziridine and imidazolidine frameworks in average good yield, by simply changing the reaction media used. It is noteworthy that the reaction occurs under sole visible light irradiation without the need for exogenous photoredox catalysts. More significantly, a reasonable reaction mechanism was proposed on the basis of the control experiments and density functional theory calculation results.

Ultrasound-assisted synthesis of substituted triazines and their corrosion inhibition behavior on N80 steel/acid interface

The three substituted triazines were synthesized by ultrasound irradiation method and characterized by FTIR, 13C NMR, and 1H NMR. The corrosion inhibition behavior of the synthesized inhibitors on N80 steel in 15% HCl was studied using electrochemical analyses and weight loss methods. All three inhibitors exhibited excellent corrosion inhibition performance, and the best inhibition effect was shown by TZ-3 (93.2% at 800 mg/L). EIS measurements suggest that the corrosion inhibition process is a charge transfer controlled. The PDP results indicated that all the triazines are mixed-type inhibitors. Langmuir adsorption model is the best fit among the other tested isotherms. These molecules can act as promising acidizing corrosion inhibitors for the oil gas industry. FTIR, AFM, and UV-vis studies corroborate the adsorption of inhibitor molecules over the metal surface.