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PBB 154

CAT: 0926-LBA40215-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-LBA40215-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36402-15-0
Smiles
C1=C (C=C (C (=C1Br) C2=CC (=C (C=C2Br) Br) Br) Br) Br
Molecular Formula
C12H4Br6
Molecular Weight
627.6 g/mol
Controlled
No

Chemical Information

2,2',4,4',5,6'-Hexabromobiphenyl

2,2',4,4',5,6'-Hexabromobiphenyl 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 Number36402-15-0
PubChem CID154282
IUPAC Name1,2,4-tribromo-5-(2,4,6-tribromophenyl)benzene
Molecular FormulaC12H4Br6
Molecular Weight627.6
XLogP7.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
C1=C(C=C(C(=C1Br)C2=CC(=C(C=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C12H4Br6/c13-5-1-10(17)12(11(18)2-5)6-3-8(15)9(16)4-7(6)14/h1-4H
InChIKey
SGDPXKBCMMVXTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2',4,4',5,6'-Hexabromobiphenyl
CAS: 36402-15-0
CID: 154282
Formula: C12H4Br6
MW: 627.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight627.6
XLogP37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass627.53518
Monoisotopic Mass621.54133
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
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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