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493-77-6

Basic Information
CAS No.: 493-77-6
Name: 2,4,6-TRIPHENYL-S-TRIAZINE
Article Data: 257
Molecular Structure:
Molecular Structure of 493-77-6 (2,4,6-TRIPHENYL-S-TRIAZINE)
Formula: C21H15N3
Molecular Weight: 309.37
Synonyms: 2,4,6-Triphenyl-1, 3,5-triazine;2,4,6-Triphenyl-s-triazine;Cyaphenine;s-Triazine, 2,4,6-triphenyl-;Kyaphenine;2,4,6-triphenyl-1,3,5-triazine;1,3,5-Triazine,2,4,6-triphenyl-;1,3,5-Triazine, 2,4,6-triphenyl-;2,4,6-Triphenyltriazine;1,3,5-Triazine, 2,4, 6-triphenyl-;Triphenyl-s-triazine;S-Triphenyltriazine;1/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15;2,4,6-triphenyl-1,3,5-triazine (IM OCS);
EINECS: 207-779-8
Density: 1.167 g/cm3
Melting Point: 231-236 °C
Boiling Point: 541.8 °C at 760 mmHg
Flash Point: 245.5 °C
Appearance: White to off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 38.67000
LogP: 4.87260
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  • 2,4,6-Triphenyl-[1,3,5]triazine

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    2,4,6-Triphenyl-[1,3,5]triazine

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  • 2,4,6-triphenyl-1,3,5-triazine

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    493-77-6

    2,4,6-triphenyl-1,3,5-triazine

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  • s-Triazine, 2,4,6-triphenyl- (8CI)

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    493-77-6

    s-Triazine, 2,4,6-triphenyl- (8CI)

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Specification

The CAS register number of s-Triazine, 2,4,6-triphenyl- (8CI) is 493-77-6. It also can be called as 2,4,6-Triphenyl-s-triazine and the IUPAC name about this chemical is 2,4,6-triphenyl-1,3,5-triazine. The molecular formula about this chemical is C21H15N3 and the molecular weight is 309.36. It belongs to the following product categories which include Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Triazines and so on.

Physical properties about s-Triazine, 2,4,6-triphenyl- (8CI) are: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.54; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9592.68; (6)ACD/BCF (pH 7.4): 9593.13; (7)ACD/KOC (pH 5.5): 24652.23; (8)ACD/KOC (pH 7.4): 24653.39; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.67 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 94.3 cm3; (14)Molar Volume: 264.9 cm3; (15)Polarizability: 37.38x10-24cm3; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.167 g/cm3; (18)Flash Point: 245.5 °C; (19)Enthalpy of Vaporization: 78.91 kJ/mol; (20)Boiling Point: 541.8 °C at 760 mmHg; (21)Vapour Pressure: 2.97E-11 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzonitrile. This reaction will need reagent of Ni. The reaction time is 40 hours with reaction temperature of 190 - 195 °C. The yield is about 0.5%.

 Uses of s-Triazine, 2,4,6-triphenyl- (8CI): it can be used to produce 2,2,4,6-tetraphenyl-1,2-dihydro-[1,3,5]triazine with phenyllithium. This reaction will need reagent of diethyl ether. This reaction needs ambient temperature. The yield is about 60%.

Uses of s-Triazine, 2,4,6-triphenyl- (8CI): it can be used to produce 2,2,4,6-tetraphenyl-1,2-dihydro-[1,3,5]triazine with phenyllithium. This reaction will need reagent of diethyl ether. This reaction needs ambient temperature. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nc(nc1c2ccccc2)c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H (3)InChIKey: HBQUOLGAXBYZGR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
(5)Std. InChIKey: HBQUOLGAXBYZGR-UHFFFAOYSA-N