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BDE 66

CAT: 0127-OR1086425-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1086425-01Size:250 mg
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CAS Number
189084-61-5
MDL Number
MFCD08460510
Purity
97%
Smiles
O (c1c (Br) cc (Br) cc1) c1cc (Br) c (Br) cc1

Chemical Information

2,3',4,4'-Tetrabromodiphenyl ether

2,4-dibromophenyl 3,4-dibromophenyl ether is a polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 3', and 4' positions have been replaced by bromines.

CAS Number189084-61-5
PubChem CID15509893
IUPAC Name1,2-dibromo-4-(2,4-dibromophenoxy)benzene
Molecular FormulaC12H6Br4O
Molecular Weight485.79
XLogP6.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity251
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2)Br)Br)Br)Br
InChI
InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H
InChIKey
DHUMTYRHKMCVAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3',4,4'-Tetrabromodiphenyl ether
CAS: 189084-61-5
CID: 15509893
Formula: C12H6Br4O
MW: 485.79
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight485.79
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass485.71112
Monoisotopic Mass481.71522
Topological Polar Surface Area9.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes