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Triallyl Isocyanurate
CAS: 1025-15-6 | C12H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1025-15-6
Molecular Formula:
C12H15N3O3
Molecular Mass:
249.27 g/mol
Names and Synonyms:
Triallyl Isocyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl-
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl-
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-
s-Triazine-2,4,6(1H,3H,5H)-trione, triallyl-
1,3,5-Tri-2-propen-1-yl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Isocyanuric acid triallyl ester
1,3,5-Triallylisocyanurate
Triallyl isocyanurate
1,3,5-Triallylisocyanuric acid
Diak 7
TAIC
Perkalink 301
M 60 (isocyanurate)
M 60
Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Perkalink 301-50D
Perkalink 301-501
Perkalink 301-50
TAIC-M 60
TAIC-M 6
M 6 (isocyanurate)
M 6
DLC-A
1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Drimix TAIC
NSC 11692
WH 60
1,3,5-Tris-2′-propenylisocyanuric acid
SR 533
TAIC 60
TAIC WH
Nor-TAIC KS
TAIC DLC-A
TAIC-WH 60
Perkalink 301-70DPD
Synpro PLC 4185
SR 533R
TAIC 100
Betalink IC/W 65PA6
Triallylisocyanuric acid
Luvomaxx TAIC-DL 70C
Luvomaxx TAIC-DL 70
Taicros
TAIC 70
Triallyl-1,3,5-triazine-2,4,6-trione
PL 301-50D
PL 301
1,3,5-Tris(2-propenyl) isocyanurate
HBSQ 2011
Rhenofit TAIC/S
Daik 7
TAIC-S
TAIC-B
T 123406
1,3,5-Triallyl-1,3,5-triazin-2,4,6-trione
CVD 50106
Taic-S 70
Drimix TAIC 75
Trilink 7
Kettlitz TAIC
1,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione
Allyl isocyanurate
A 1712
1,3,5-Triallyl-1,3,5-triazine-2,4,6-trione
Farida TAIC-P
T-CROS
Identifiers:
SMILES:
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChI:
InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
Key Properties
Boiling Point
107-114 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
20.5 °C
CAS Common Chemistry
Density
1.38 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.27 g/mol | CAS Common Chemistry |
| 249.26999999999995 g/mol | RDKit | |
| 249.11134134 g/mol | RDKit | |
| Density | 1.38 g/cm³ | CAS Common Chemistry |
| 1.382 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Boiling Point | 107-114 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C(=O)N(C(=O)N1CC=C)CC=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KOMNUTZXSVSERR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20.5 °C | CAS Common Chemistry |
| Name | Triallyl isocyanurate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.0 Ų | RDKit |
| LogP | -0.27030000000000043 | RDKit |
| Molar Refractivity | 69.813 | RDKit |
