1,3,5-Triphenyl-s-triazine-2,4,6(1H,3H,5H)-trione
- Formula: C21H15N3O3
- Molecular weight: 357.3621
- IUPAC Standard InChI: InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H
- IUPAC Standard InChIKey: YEACGXMAEGBJSM-UHFFFAOYSA-N
- CAS Registry Number: 1785-02-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-; Phenyl isocyanate trimer; Phenyl isocyanurate; Triphenyl isocyanurate; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-; 1,3,5-Triphenyl-1,3,5-perhydro-triazine-2,4,6-trione; 1,3,5-Triphenyl-perhydro-1,3,5-triazine-2,4,6-trione; 1,3,5-Triphenyl-s-triazine-2,4,6-trione; 1,3,5-Triphenyl-1,3,5-triazine-2,4,6-trione; Phenyl isocyanate cyclic trimer; 1,3,5-Triphenyl-2,4,6-triazinetrione; s-Triazine-2,4,6(1H,3H,5H)-trione, triphenyl-; 1,3,5-Triphenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; Triazintrione, 1,3,5-triphenyl-; 1,3,5-Triphenyl isocyanurate; N,N',N''-Triphenyl isocyanurate; NSC 105886; NSC 82068
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Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
3 =
By formula: 3C7H5NO = C21H15N3O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.4 ± 0.69 | kcal/mol | Cm | Bonetskaya, Kravchenko, et al., 1985 | liquid phase; solvent: Diglyme; Trimerization |
| ΔrH° | 19.3 | kcal/mol | Cm | Bykova, Lebedev, et al., 1985 | liquid phase; Different experiment |
= 3
By formula: C21H15N3O3 = 3C7H5NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -19.3 | kcal/mol | Cm | Bykova, Lebedev, et al., 1985 | solid phase; Different experiment |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bonetskaya, Kravchenko, et al., 1985
Bonetskaya, A.K.; Kravchenko, M.A.; Frenkel, Ts.M.; Pankratov, V.A.; Vinogradova, S.V.; Korshak, V.V.,
Kinetics and heat of cyclotrimerization of aryl and alkyl isocyanates,
Vysokomol. Soedin., Ser. A, 1985, 27, 1269-1273. [all data]
Bykova, Lebedev, et al., 1985
Bykova, T.A.; Lebedev, B.V.; Kiparisova, E.G.; Tarasov, E.N.; Frenkel, Ts.M.; Pankratov, V.A.; Vinogradova, S.V.; Korshank, V.V.,
Thermodynamics of phenyl isocyanate, the process of its cyclotrimerization, and the triphenyl isocyanurate that is formed, in the 0-330°K interval,
J. Gen. Chem. USSR, 1985, 55, 2303-2308. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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