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Molecule
2,4,6-Tris(2,4,6-Tribromophenoxy)-1,3,5-Triazine
CAS: 25713-60-4 · C21H6Br9N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25713-60-4
- Molecular Formula
- C21H6Br9N3O3
- Molecular Mass
- 1067.43 g/mol
Identifiers
CAS Registry Number
25713-60-4
SMILES
Brc1cc(Br)c(Oc2nc(Oc3c(Br)cc(Br)cc3Br)nc(Oc3c(Br)cc(Br)cc3Br)n2)c(Br)c1
InChI Key
BDFBPPCACYFGFA-UHFFFAOYSA-N
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
Names and Synonyms
- 2,4,6-Tris(2,4,6-Tribromophenoxy)-1,3,5-Triazine Synonym
- 1,3,5-Triazine, 2,4,6-tris(2,4,6-tribromophenoxy)- Synonym
- s-Triazine, 2,4,6-tris(2,4,6-tribromophenoxy)- Synonym
- 2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine Synonym
- Tris(2,4,6-tribromophenoxy)-s-triazine Synonym
- GX 6145 Synonym
- Pyroguard SR 245 Synonym
- SR 245 Synonym
- FR 245 Synonym
- FR 245 (flame retardant) Synonym
- FR 368 Synonym
- FR 235 Synonym
- 2,4,6-Tri(2,4,6-tribromophenoxy)-1,3,5-triazine Synonym
- BTAC 245 Synonym
- SR 103 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1067.43 g/mol | CAS Common Chemistry |
| 1067.4329999999998 g/mol | RDKit | |
| 1067.433 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 |
| 64.77 Ų | chempirical lib | |
| LogP | 12.110999999999994 | RDKit |
| 12.111 | RDKit | |
| Molar Refractivity | 168.67499999999993 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 1058.305949952 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 1067.43 g/mol. Edit any field — others recompute live.
