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2,4-Dibromobiphenyl

CAT: 0127-OR1092719Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
53592-10-2
MDL Number
MFCD00152386
Smiles
Brc1c (c2ccccc2) ccc (Br) c1

Chemical Information

2,4-Dibromobiphenyl

2,4-Dibromobiphenyl 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 Number53592-10-2
PubChem CID185748
IUPAC Name2,4-dibromo-1-phenylbenzene
Molecular FormulaC12H8Br2
Molecular Weight312.00
XLogP5.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity175
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C12H8Br2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
BWVLLEHUUJBZMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dibromobiphenyl
CAS: 53592-10-2
CID: 185748
Formula: C12H8Br2
MW: 312.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.00
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass311.89723
Monoisotopic Mass309.89928
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity175
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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