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Decabromodiphenylethane
CAS: 84852-53-9 | C14H4Br10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84852-53-9
Molecular Formula:
C14H4Br10
Molecular Mass:
971.23 g/mol
Names and Synonyms:
Decabromodiphenylethane
Benzene, 1,1′-(1,2-ethanediyl)bis[2,3,4,5,6-pentabromo-
1,1′-(1,2-Ethanediyl)bis[2,3,4,5,6-pentabromobenzene]
1,2-Bis(pentabromophenyl)ethane
Decabromodiphenylethane
Decadiphenyl 8010
Saytex 8010
Planelon BDE
S 8010
1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane
Firemaster 2100
Ethylenebis(pentabromobiphenyl)
FCP 801
Ethylenebispentabromobenzene
RDT 3
CG 801
Bis(pentabromophenyl)ethane
Saytex 4010
F 8010
Yabao 8010
FR 105
FR 1410
RDT 3K
1,2-Bis(pentabromodiphenyl)ethane
DBDPE
HP 8010
1,2,3,4,5-Pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene
802A
Fire Cut FCP 801
Firemaster FM 2100R
FM 2100R
RTD 3
Identifiers:
SMILES:
Brc1c(Br)c(Br)c(CCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChI:
InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
Key Properties
Melting Point
334-337 °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 | 971.23 g/mol | CAS Common Chemistry |
| 971.226 g/mol | RDKit | |
| 961.2146711280002 g/mol | RDKit | |
| Canonical SMILES | BrC=1C(Br)=C(Br)C(=C(Br)C1Br)CCC=2C(Br)=C(Br)C(Br)=C(Br)C2Br | CAS Common Chemistry |
| InChI | InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BZQKBFHEWDPQHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 334-337 °C | CAS Common Chemistry |
| Name | Decabromodiphenylethane | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 11.096799999999998 | RDKit |
| Molar Refractivity | 137.29199999999994 | RDKit |
