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2,4,6-Tris(2,4,6-Tribromophenoxy)-1,3,5-Triazine
CAS: 25713-60-4 | C21H6Br9N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25713-60-4
Molecular Formula:
C21H6Br9N3O3
Molecular Mass:
1067.43 g/mol
Names and Synonyms:
2,4,6-Tris(2,4,6-Tribromophenoxy)-1,3,5-Triazine
1,3,5-Triazine, 2,4,6-tris(2,4,6-tribromophenoxy)-
s-Triazine, 2,4,6-tris(2,4,6-tribromophenoxy)-
2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine
Tris(2,4,6-tribromophenoxy)-s-triazine
GX 6145
Pyroguard SR 245
SR 245
FR 245
FR 245 (flame retardant)
FR 368
FR 235
2,4,6-Tri(2,4,6-tribromophenoxy)-1,3,5-triazine
BTAC 245
SR 103
Identifiers:
SMILES:
Brc1cc(Br)c(Oc2nc(Oc3c(Br)cc(Br)cc3Br)nc(Oc3c(Br)cc(Br)cc3Br)n2)c(Br)c1
InChI:
InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H
Key Properties
Melting Point
225-235 °C
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 | 1067.43 g/mol | CAS Common Chemistry |
| 1067.4329999999998 g/mol | RDKit | |
| 1058.305949952 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=C(Br)C(OC=2N=C(N=C(N2)OC=3C(Br)=CC(Br)=CC3Br)OC=4C(Br)=CC(Br)=CC4Br)=C(Br)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=BDFBPPCACYFGFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-235 °C | CAS Common Chemistry |
| Name | 2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 66.36 Ų | RDKit |
| LogP | 12.110999999999994 | RDKit |
| Molar Refractivity | 168.67499999999993 | RDKit |
