Back to Search
Tetrabromobisphenol A Diallyl Ether
CAS: 25327-89-3 | C21H20Br4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25327-89-3
Molecular Formula:
C21H20Br4O2
Molecular Mass:
624.01 g/mol
Names and Synonyms:
Tetrabromobisphenol A Diallyl Ether
Benzene, 1,1′-(1-methylethylidene)bis[3,5-dibromo-4-(2-propen-1-yloxy)-
Propane, 2,2-bis[4-(allyloxy)-3,5-dibromophenyl]-
Benzene, 1,1′-(1-methylethylidene)bis[3,5-dibromo-4-(2-propenyloxy)-
1,1′-(1-Methylethylidene)bis[3,5-dibromo-4-(2-propen-1-yloxy)benzene]
2,2-Bis(4-allyloxy-3,5-dibromophenyl)propane
2,2-Bis(3,5-dibromo-4-allyloxyphenyl)propane
Tetrabromobisphenol A diallyl ether
1,1′-Isopropylidenebis[4-(allyloxy)-3,5-dibromobenzene]
SR 319
Tetrabromobisphenol A bis(allyl ether)
Pyroguard SR 319
Tetrabromobisphenol A allyl ether
FG 3200
Flame Cut 122K
BE 51
Fire Guard 3200
TBBPA-DE
1,3-Dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene
Identifiers:
SMILES:
C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2)cc1Br
InChI:
InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3
Key Properties
Melting Point
118-120 °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 | 624.01 g/mol | CAS Common Chemistry |
| 624.0050000000001 g/mol | RDKit | |
| 619.81967828 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=C(C=C(Br)C1OCC=C)C(C2=CC(Br)=C(OCC=C)C(Br)=C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PWXTUWQHMIFLKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-120 °C | CAS Common Chemistry |
| Name | Tetrabromobisphenol A diallyl ether | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 8.192100000000003 | RDKit |
| Molar Refractivity | 127.19600000000005 | RDKit |
