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2-(4-Methoxystyryl)-4,6-Bis(Trichloromethyl)-1,3,5-Triazine
CAS: 42573-57-9 | C14H9Cl6N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42573-57-9
Molecular Formula:
C14H9Cl6N3O
Molecular Mass:
447.96 g/mol
Names and Synonyms:
2-(4-Methoxystyryl)-4,6-Bis(Trichloromethyl)-1,3,5-Triazine
1,3,5-Triazine, 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-
2-[2-(4-Methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
2,4-Bis(trichloromethyl)-6-(p-methoxystyryl)-s-triazine
2,4-Bis(trichloromethyl)-6-(4-methoxystyryl)-s-triazine
2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-s-triazine
2-(p-Methoxystyryl)-4,6-bis(trichloromethyl)-s-triazine
2-(p-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
TAZ 100
TAZ 110
2,4-Bis(trichloromethyl)-6-(4-methoxystyryl)-1,3,5-triazine
Triazine PMS
2-(4-Methoxy-β-styryl)-4,6-bis(trichloromethyl)-s-triazine
TMS (photoinitiator)
TMS
TAZ-TMS
2,4-(Trichloromethyl)-6-(4-methoxystyryl)-1,3,5-triazine
Chemcure PAG 4
Identifiers:
SMILES:
COc1ccc(C=Cc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1
InChI:
InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3
Key Properties
Melting Point
191 °C @ Solvent: Ethanol
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 | 447.96 g/mol | CAS Common Chemistry |
| 447.964 g/mol | RDKit | |
| 444.88767798800006 g/mol | RDKit | |
| Canonical SMILES | ClC(Cl)(Cl)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C=CC2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MCNPOZMLKGDJGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.900000000000006 Ų | RDKit |
| LogP | 5.704000000000002 | RDKit |
| Molar Refractivity | 100.22299999999998 | RDKit |
