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Tetrabromobisphenol A Bis(2,3-Dibromopropyl Ether)
CAS: 21850-44-2 | C21H20Br8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21850-44-2
Molecular Formula:
C21H20Br8O2
Molecular Mass:
943.62 g/mol
Names and Synonyms:
Tetrabromobisphenol A Bis(2,3-Dibromopropyl Ether)
Benzene, 1,1′-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-
2,2-Bis[[3,5-dibromo-4-(2,3-dibromopropyloxy)]phenyl]propane
Flame Cut 121R
PE 68 (fireproofing agent)
Flame Cut 121K
Pyroguard SR 720
SR 720
FR 720
Saytex HP 800AG
TBBPA-DBPE
Saytex HP 800A
HP 800A
FCP 680
Fire Cut P 680G
OBE
Pyroguard SR 720N
SR 720N
TexFRon 9001
XZ 6800
Fire Cut P 680
1,3-Dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
Propane, 2,2-bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]-
1,1′-(1-Methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]
2,2-Bis[4-(2,3-dibromopropyloxy)-3,5-dibromophenyl]propane
2,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propane
2,2-Bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl]propane
1,1′-Isopropylidenebis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]
4,4′-Isopropylidenebis[2,6-dibromo-1-(2,3-dibromopropoxy)benzene]
Bromkal 66-8
Bis(2,3-dibromopropoxy)tetrabromobisphenol A
Fire Guard 3100
PE 68
Tetrabromobisphenol A bis(2,3-dibromopropyl ether)
D 5532
Tetrabromobisphenol A 2,3-dibromopropyl ether
GX 5532
FG 3100
3,3′,5,5′-Tetrabromobisphenol A bis(2,3-dibromopropyl) ether
Identifiers:
SMILES:
CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
InChI:
InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3
Key Properties
Melting Point
85-92 °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 | 943.62 g/mol | CAS Common Chemistry |
| 943.6209999999999 g/mol | RDKit | |
| 935.4930266800002 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=C(C=C(Br)C1OCC(Br)CBr)C(C2=CC(Br)=C(OCC(Br)CBr)C(Br)=C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LXIZRZRTWSDLKK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-92 °C | CAS Common Chemistry |
| Name | Tetrabromobisphenol A bis(2,3-dibromopropyl ether) | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 10.13689999999999 | RDKit |
| Molar Refractivity | 159.81999999999977 | RDKit |
