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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
Adine 505
Nonnen DP 10(F)
EB 10W
T 011N
HT 302
Taixing HT 302
1,2,3,4,5-Pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
Greatbay XZ 8200
FR 300 (ether)
Planelon DB 102
Satex 102E
Fire Cut FCP 83D
Performax 410
Vigol DNT 80
FRD 004
NSC 82553
Myflam 11861
S 102E
BDE 209
EBR 700
EB 10
EB 10WS
PBDE 209
2,2′,3,3′,4,4′,5,5′,6,6′-Decabromodiphenyl ether
Fire Cut 83D
FR 10 (ether)
FR 10
FR 1210
Saytex 120E
Saytex 102E
Decabromodiphenyl ether
S 102
Flame Cut 110R
Planelon DB
Pyroguard SR 270
SR 270
Pyroguard SR 250
SR 250
DB 102
Plasafety EB 10
RM 939965
Nonnen DP 10
DB 101
Planelon DB 101
102(E)
DB 10
Caliban F/R-P 39P
Flame Cut BR 100
FR-PE(H)
DP 10F
AFR 1021
Planelon DB 100
Saytex 102
Plasafety EBR 700
EB 10FP
FR-PE
Bromkal 81
DE 83
FR 300
Decabrom
DE 83R
Tardex 100
BR 55N
Bromkal 82-0DE
Berkflam B 10E
F/R-P 53
Pentabromophenyl ether
Bromkal 83-10DE
Decabromophenyl ether
FR 300BA
Decabromobiphenyl oxide
Decabromobiphenyl ether
Decabromodiphenyl oxide
Bis(pentabromophenyl) ether
1,1′-Oxybis[2,3,4,5,6-pentabromobenzene]
Ether, bis(pentabromophenyl)
Benzene, 1,1′-oxybis[2,3,4,5,6-pentabromo-
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 11.1039 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 129.958 | RDKit |
