Back to Search
1,2-Bis(2,4,6-Tribromophenoxy)Ethane
CAS: 37853-59-1 | C14H8Br6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37853-59-1
Molecular Formula:
C14H8Br6O2
Molecular Mass:
687.64 g/mol
Names and Synonyms:
1,2-Bis(2,4,6-Tribromophenoxy)Ethane
Benzene, 1,1′-[1,2-ethanediylbis(oxy)]bis[2,4,6-tribromo-
1,1′-[1,2-Ethanediylbis(oxy)]bis[2,4,6-tribromobenzene]
1,2-Bis(2,4,6-tribromophenoxy)ethane
FireMaster 680
FF 680
FireMaster FF 680
FI 680
FM 680
BTBPE
1,3,5-Tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene
Identifiers:
SMILES:
Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1
InChI:
InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
Key Properties
Melting Point
222-223 °C
CAS Common Chemistry
Density
2.58 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 | 687.64 g/mol | CAS Common Chemistry |
| 687.6400000000001 g/mol | RDKit | |
| 681.5624520960001 g/mol | RDKit | |
| Density | 2.58 g/cm³ | CAS Common Chemistry |
| 2.58 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | BrC=1C=C(Br)C(OCCOC=2C(Br)=CC(Br)=CC2Br)=C(Br)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YATIGPZCMOYEGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222-223 °C | CAS Common Chemistry |
| Name | 1,2-Bis(2,4,6-tribromophenoxy)ethane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 7.719400000000003 | RDKit |
| Molar Refractivity | 110.07400000000001 | RDKit |
