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PBB 53

CAT: 0926-KCA04425-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-KCA04425-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60044-25-9
MDL Number
MFCD00152829
Smiles
C1=CC (=C (C (=C1) Br) C2=C (C=CC (=C2) Br) Br) Br
Molecular Formula
C12H6Br4
Molecular Weight
469.79 g/mol
Controlled
Yes

Chemical Information

2,2',5,6'-Tetrabromobiphenyl

2,2',5,6'-Tetrabromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

CAS Number60044-25-9
PubChem CID91669
IUPAC Name1,3-dibromo-2-(2,5-dibromophenyl)benzene
Molecular FormulaC12H6Br4
Molecular Weight469.79
XLogP6.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity223
SMILES
C1=CC(=C(C(=C1)Br)C2=C(C=CC(=C2)Br)Br)Br
InChI
InChI=1S/C12H6Br4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H
InChIKey
IMEYSCIEAFLSQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2',5,6'-Tetrabromobiphenyl
CAS: 60044-25-9
CID: 91669
Formula: C12H6Br4
MW: 469.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.79
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass469.71620
Monoisotopic Mass465.72030
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity223
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

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