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Decabromodiphenyl Ether
CAS: 1163-19-5 | C12Br10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1163-19-5
Molecular Formula:
C12Br10O
Molecular Weight:
959.171 g/mol
Names and Synonyms:
Decabromodiphenyl Ether
Common Name
Adine 505
Synonym
Nonnen DP 10(F)
Synonym
EB 10W
Synonym
T 011N
Synonym
HT 302
Synonym
Taixing HT 302
Synonym
1,2,3,4,5-Pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
Synonym
Greatbay XZ 8200
Synonym
FR 300 (ether)
Synonym
Planelon DB 102
Synonym
Satex 102E
Synonym
Fire Cut FCP 83D
Synonym
Performax 410
Synonym
Vigol DNT 80
Synonym
FRD 004
Synonym
NSC 82553
Synonym
Myflam 11861
Synonym
S 102E
Synonym
BDE 209
Synonym
EBR 700
Synonym
EB 10
Synonym
EB 10WS
Synonym
PBDE 209
Synonym
2,2′,3,3′,4,4′,5,5′,6,6′-Decabromodiphenyl ether
Synonym
Fire Cut 83D
Synonym
FR 10 (ether)
Synonym
FR 10
Synonym
FR 1210
Synonym
Saytex 120E
Synonym
Saytex 102E
Synonym
Decabromodiphenyl ether
Synonym
S 102
Synonym
Flame Cut 110R
Synonym
Planelon DB
Synonym
Pyroguard SR 270
Synonym
SR 270
Synonym
Pyroguard SR 250
Synonym
SR 250
Synonym
DB 102
Synonym
Plasafety EB 10
Synonym
RM 939965
Synonym
Nonnen DP 10
Synonym
DB 101
Synonym
Planelon DB 101
Synonym
102(E)
Synonym
DB 10
Synonym
Caliban F/R-P 39P
Synonym
Flame Cut BR 100
Synonym
FR-PE(H)
Synonym
DP 10F
Synonym
AFR 1021
Synonym
Planelon DB 100
Synonym
Saytex 102
Synonym
Plasafety EBR 700
Synonym
EB 10FP
Synonym
FR-PE
Synonym
Bromkal 81
Synonym
DE 83
Synonym
FR 300
Synonym
Decabrom
Synonym
DE 83R
Synonym
Tardex 100
Synonym
BR 55N
Synonym
Bromkal 82-0DE
Synonym
Berkflam B 10E
Synonym
F/R-P 53
Synonym
Pentabromophenyl ether
Synonym
Bromkal 83-10DE
Synonym
Decabromophenyl ether
Synonym
FR 300BA
Synonym
Decabromobiphenyl oxide
Synonym
Decabromobiphenyl ether
Synonym
Decabromodiphenyl oxide
Synonym
Bis(pentabromophenyl) ether
Synonym
1,1′-Oxybis[2,3,4,5,6-pentabromobenzene]
Synonym
Ether, bis(pentabromophenyl)
Synonym
Benzene, 1,1′-oxybis[2,3,4,5,6-pentabromo-
Synonym
Identifiers:
SMILES:
Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChI:
InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 959.17 g/mol | Legacy Database |
| density | 3.00 g/cm³ | Legacy Database |
| cas-boiling-point | 530 °C None | Legacy Database |
| cas-canonical-smile | BrC=1C(Br)=C(Br)C(OC=2C(Br)=C(Br)C(Br)=C(Br)C2Br)=C(Br)C1Br None | Legacy Database |
| cas-density | 3.0 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22 None | Legacy Database |
| cas-inchi-key | InChIKey=WHHGLZMJPXIBIX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 305 °C None | Legacy Database |
| cas-name | Decabromodiphenyl ether None | Legacy Database |
| LogP | 11.1039 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 959.171 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 949.1782856200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 129.958 | RDKit |